[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (E)-3-quinolin-2-ylprop-2-enoate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-2-propenoic acid [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] (E)-3-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid [2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C28H24N2O3 MolecularWeight: 436.50176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)C=CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)/C=C/C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H24N2O3/c1-19-12-13-20(2)25(18-19)30-28(32)27(22-9-4-3-5-10-22)33-26(31)17-16-23-15-14-21-8-6-7-11-24(21)29-23/h3-18,27H,1-2H3,(H,30,32)/b17-16+