4-[2-[5-chloranyl-3-cyclopropyl-2-[[methyl-(3-methylphenyl)amino]methyl]-6-oxidanylidene-pyridin-1-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[5-chloranyl-3-cyclopropyl-2-[[methyl-(3-methylphenyl)amino]methyl]-6-oxidanylidene-pyridin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[5-chloro-3-cyclopropyl-2-[(N,3-dimethylanilino)methyl]-6-oxo-1-pyridyl]ethyl]benzoic acid CAS Name: 4-[2-[5-chloro-3-cyclopropyl-2-[(N,3-dimethylanilino)methyl]-6-oxo-1-pyridinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[5-chloro-3-cyclopropyl-2-[(N,3-dimethylanilino)methyl]-6-oxopyridin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[5-chloro-3-cyclopropyl-2-[(N,3-dimethylanilino)methyl]-6-keto-1-pyridyl]ethyl]benzoic acid Formula: C26H27ClN2O3 MolecularWeight: 450.95718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C)CC2=C(C=C(C(=O)N2CCC3=CC=C(C=C3)C(=O)O)Cl)C4CC4

Isomeric SMILES

CC1=CC(=CC=C1)N(C)CC2=C(C=C(C(=O)N2CCC3=CC=C(C=C3)C(=O)O)Cl)C4CC4

InChI

InChI=1S/C26H27ClN2O3/c1-17-4-3-5-21(14-17)28(2)16-24-22(19-10-11-19)15-23(27)25(30)29(24)13-12-18-6-8-20(9-7-18)26(31)32/h3-9,14-15,19H,10-13,16H2,1-2H3,(H,31,32)