Compound Identification
SMILES
CCN(CC)CC1=CC=C(C=C1)C(=O)OCO[C@](CN1C=NC=N1)([C@@H](C)C1=NC(=CS1)C1=CC=C(C=C1)C#N)C1=C(F)C=C(F)C=C1
InChIKey
InChIKey=IBDHOAMRADEOFE-BHNGRWRESA-N
Formula
C35H34F2N6O3S
Mass
656.75
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Phenylpropanes Phenylmethylamines Benzonitriles Benzoyl derivatives Benzylamines 2,4-disubstituted thiazoles Aralkylamines Fluorobenzenes Aryl fluorides Triazoles Heteroaromatic compounds Trialkylamines Amino acids and derivatives Carboxylic acid esters Acetals Nitriles Azacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Phenylpropane - Benzonitrile - Benzoyl - Benzylamine - Phenylmethylamine - 2,4-disubstituted 1,3-thiazole - Fluorobenzene - Aralkylamine - Halobenzene - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - 1,2,4-triazole - Thiazole - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic nitrogen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - Amine - Organic oxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available