[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-pyridin-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-pyridin-2-ylquinoline-4-carboxylate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 2-(2-pyridyl)quinoline-4-carboxylate CAS Name: 2-(2-pyridinyl)-4-quinolinecarboxylic acid [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-pyridin-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-pyridyl)cinchoninic acid [2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C31H25N3O3 MolecularWeight: 487.5485

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)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

InChI

InChI=1S/C31H25N3O3/c1-20-15-16-21(2)27(18-20)34-30(35)29(22-10-4-3-5-11-22)37-31(36)24-19-28(26-14-8-9-17-32-26)33-25-13-7-6-12-23(24)25/h3-19,29H,1-2H3,(H,34,35)