[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-4-phenethyl-quinoxalin-2-yl)propanoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-4-phenethyl-quinoxalin-2-yl)propanoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 3-(3-oxo-4-phenethyl-quinoxalin-2-yl)propanoate CAS Name: 3-(3-oxo-4-phenethyl-2-quinoxalinyl)propanoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 3-(3-oxo-4-phenethylquinoxalin-2-yl)propanoate Traditional Name: 3-(3-keto-4-phenethyl-quinoxalin-2-yl)propionic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C28H24N4O4 MolecularWeight: 480.51456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C(C2=O)CCC(=O)OCC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C(C2=O)CCC(=O)OCC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C28H24N4O4/c29-18-21-9-6-10-22(17-21)30-26(33)19-36-27(34)14-13-24-28(35)32(16-15-20-7-2-1-3-8-20)25-12-5-4-11-23(25)31-24/h1-12,17H,13-16,19H2,(H,30,33)