Compound Identification
SMILES
CC1[C@@H]2[C@H](C[C@]3(C)O[C@H]3[C@H](OC(=O)C3=CC=CC=C3)[C@@H](N(C)C)C3=C[C@H]2OC3=O)OC1=O
InChIKey
InChIKey=KXBZAFKXJZFLPE-ULUROSBFSA-N
Formula
C24H27NO7
Mass
441.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
-
Subclass
Benzoic acids and derivatives
-
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
Benzoyl derivatives Gamma butyrolactones Dicarboxylic acids and derivatives Butenolides Oxolanes Enoate esters Trialkylamines Amino acids and derivatives Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Benzoyl - 2-furanone - Dicarboxylic acid or derivatives - Gamma butyrolactone - Dihydrofuran - Oxolane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Ether - Oxirane - Carboxylic acid derivative - Dialkyl ether - Organooxygen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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