Compound Identification
SMILES
Cl.Cl.C[C@@H](NC(=O)[C@@](C)(CC1=CN(C(=O)OCOC(=O)C2=CC=C(CN3CCN(C)CC3)C=C2)C2=CC=CC=C12)NC(=O)OCC1=CC2=CC=CC=C2O1)C1=CC=CC=C1
InChIKey
InChIKey=PGGGMYGUZGJERY-OMTDLPMGSA-N
Formula
C45H49Cl2N5O8
Mass
858.81
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Indoles and derivatives
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Subclass
Indolecarboxylic acids and derivatives
- Level 5 Indolecarboxylic acids
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Subclass
Indolecarboxylic acids and derivatives
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Class
Indoles and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indolecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Indolecarboxylic acids
Alternative Parents
Tryptamines and derivatives Alpha amino acid amides 3-alkylindoles Benzoic acid esters Benzofurans Pyrrole carboxylic acids and derivatives Phenylmethylamines Benzoyl derivatives Benzylamines Aralkylamines N-methylpiperazines Substituted pyrroles Fatty amides Carbamate esters Furans Heteroaromatic compounds Carboxylic acid esters Trialkylamines Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Acetals Carbonyl compounds Hydrochlorides Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid amide - Indolecarboxylic acid - Triptan - Alpha-amino acid or derivatives - Benzoate ester - 3-alkylindole - Benzofuran - Benzoic acid or derivatives - Indole - Benzoyl - Benzylamine - Phenylmethylamine - Pyrrole-1-carboxylic acid or derivatives - N-alkylpiperazine - N-methylpiperazine - Aralkylamine - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Substituted pyrrole - 1,4-diazinane - Fatty amide - Piperazine - Carbamic acid ester - Pyrrole - Furan - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Tertiary amine - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Carboxylic acid derivative - Acetal - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Hydrochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole.
External Descriptors
Not available