6-[(2,3-dimethylphenyl)amino]-6-(1-pyridin-4-ylethyl)cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 6-[(2,3-dimethylphenyl)amino]-6-(1-pyridin-4-ylethyl)cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 6-(2,3-dimethylanilino)-6-[1-(4-pyridyl)ethyl]cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 6-(2,3-dimethylanilino)-6-(1-pyridin-4-ylethyl)-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 6-(2,3-dimethylanilino)-6-(1-pyridin-4-ylethyl)cyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 6-(2,3-dimethylanilino)-6-[1-(4-pyridyl)ethyl]cyclohexa-2,4-diene-1-carboxylic acid Formula: C22H24N2O2 MolecularWeight: 348.43816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2(C=CC=CC2C(=O)O)C(C)C3=CC=NC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2(C=CC=CC2C(=O)O)C(C)C3=CC=NC=C3)C

InChI

InChI=1S/C22H24N2O2/c1-15-7-6-9-20(16(15)2)24-22(12-5-4-8-19(22)21(25)26)17(3)18-10-13-23-14-11-18/h4-14,17,19,24H,1-3H3,(H,25,26)