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

Systemtic Name: 6-[(2,3-dimethylphenyl)amino]-6-(1-pyridin-4-ylpropyl)cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 6-(2,3-dimethylanilino)-6-[1-(4-pyridyl)propyl]cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 6-(2,3-dimethylanilino)-6-(1-pyridin-4-ylpropyl)-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 6-(2,3-dimethylanilino)-6-(1-pyridin-4-ylpropyl)cyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 6-(2,3-dimethylanilino)-6-[1-(4-pyridyl)propyl]cyclohexa-2,4-diene-1-carboxylic acid Formula: C23H26N2O2 MolecularWeight: 362.46474

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=NC=C1)C2(C=CC=CC2C(=O)O)NC3=CC=CC(=C3C)C

Isomeric SMILES

CCC(C1=CC=NC=C1)C2(C=CC=CC2C(=O)O)NC3=CC=CC(=C3C)C

InChI

InChI=1S/C23H26N2O2/c1-4-19(18-11-14-24-15-12-18)23(13-6-5-9-20(23)22(26)27)25-21-10-7-8-16(2)17(21)3/h5-15,19-20,25H,4H2,1-3H3,(H,26,27)