Compound Identification
SMILES
COC1=CC2=C(NC(C)=C2[C@@H]([C@H](C)CN2CCN(CCCO)CC2)C(=O)OC(=O)C2=CC=C(Cl)C=C2)C=C1
InChIKey
InChIKey=HEMDVXNNVZNXSS-NIYFSFCBSA-N
Formula
C29H36ClN3O5
Mass
542.07
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
Indolyl carboxylic acids and derivatives
- Level 5 Indole-3-acetic acid derivatives
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Subclass
Indolyl carboxylic 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
Indolyl carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Indole-3-acetic acid derivatives
Alternative Parents
Tryptamines and derivatives 3-alkylindoles 4-halobenzoic acids and derivatives Benzyloxycarbonyls Anisoles Benzoyl derivatives Alkyl aryl ethers N-alkylpiperazines Aralkylamines Chlorobenzenes Substituted pyrroles Aryl chlorides 1,3-aminoalcohols Heteroaromatic compounds Carboxylic acid anhydrides Amino acids and derivatives Trialkylamines Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Primary alcohols Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole-3-acetic acid derivative - Triptan - Benzyloxycarbonyl - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-alkylindole - Benzoic acid or derivatives - Indole - Anisole - Benzoyl - Phenol ether - N-alkylpiperazine - Aralkylamine - Alkyl aryl ether - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Substituted pyrrole - Piperazine - Pyrrole - 1,3-aminoalcohol - Carboxylic acid anhydride - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Alkanolamine - Ether - Azacycle - Carboxylic acid derivative - Organohalogen compound - Alcohol - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Amine - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole.
External Descriptors
Not available