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

Systemtic Name: 4-[2-[3,5-bis(chloranyl)-2-[[(2,3-dimethylphenyl)amino]methyl]-6-oxidanylidene-pyridin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[3,5-dichloro-2-[(2,3-dimethylanilino)methyl]-6-oxo-1-pyridyl]ethyl]benzoic acid CAS Name: 4-[2-[3,5-dichloro-2-[(2,3-dimethylanilino)methyl]-6-oxo-1-pyridinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[3,5-dichloro-2-[(2,3-dimethylanilino)methyl]-6-oxopyridin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[3,5-dichloro-2-[(2,3-dimethylanilino)methyl]-6-keto-1-pyridyl]ethyl]benzoic acid Formula: C23H22Cl2N2O3 MolecularWeight: 445.33838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NCC2=C(C=C(C(=O)N2CCC3=CC=C(C=C3)C(=O)O)Cl)Cl)C

Isomeric SMILES

CC1=C(C(=CC=C1)NCC2=C(C=C(C(=O)N2CCC3=CC=C(C=C3)C(=O)O)Cl)Cl)C

InChI

InChI=1S/C23H22Cl2N2O3/c1-14-4-3-5-20(15(14)2)26-13-21-18(24)12-19(25)22(28)27(21)11-10-16-6-8-17(9-7-16)23(29)30/h3-9,12,26H,10-11,13H2,1-2H3,(H,29,30)