Structure Information
Structure

Compound Identification

SMILES

CN(CC1(O)CCN(CCC2=CC=C(C=C2)C#N)CC1)C1=CC=C(C=C1)C(=O)OC(C)(C)C

InChIKey

InChIKey=PVEUXQWZUWKJQQ-UHFFFAOYSA-N

Formula

C27H35N3O3

Mass

449.595

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Aminobenzoic acid or derivatives - Benzoate ester - Phenethylamine - Benzonitrile - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aralkylamine - Piperidine - Tertiary alcohol - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic oxide - Alcohol - Amine - Organic oxygen compound - Cyanide - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen 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

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