[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-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-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C28H24N2O3 MolecularWeight: 436.50176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)C=CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)/C=C/C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C28H24N2O3/c1-19-13-14-20(2)24(18-19)30-28(32)27(23-8-4-3-5-9-23)33-25(31)16-15-22-11-6-10-21-12-7-17-29-26(21)22/h3-18,27H,1-2H3,(H,30,32)/b16-15+