(Z)-4-[3-[(4-methylphenyl)carbonylamino]phenyl]-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid

Systemtic Name: (Z)-4-[3-[(4-methylphenyl)carbonylamino]phenyl]-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid Openeye Name: (Z)-4-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-3-(2-quinolyl)but-3-enoic acid CAS Name: (Z)-4-[3-[[(4-methylphenyl)-oxomethyl]amino]phenyl]-2-oxo-3-(2-quinolinyl)-3-butenoic acid IUPAC Name: (Z)-4-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-3-quinolin-2-ylbut-3-enoic acid Traditional Name: (Z)-2-keto-4-[3-(p-toluoylamino)phenyl]-3-(2-quinolyl)but-3-enoic acid Formula: C27H20N2O4 MolecularWeight: 436.4587

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C=C(C3=NC4=CC=CC=C4C=C3)C(=O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)/C=C(/C3=NC4=CC=CC=C4C=C3)\C(=O)C(=O)O

InChI

InChI=1S/C27H20N2O4/c1-17-9-11-20(12-10-17)26(31)28-21-7-4-5-18(15-21)16-22(25(30)27(32)33)24-14-13-19-6-2-3-8-23(19)29-24/h2-16H,1H3,(H,28,31)(H,32,33)/b22-16-