[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-phenylphenyl)-4-quinolinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-phenylphenyl)cinchoninic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C27H21N3O3 MolecularWeight: 435.47394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C27H21N3O3/c28-15-6-16-29-26(31)18-33-27(32)23-17-25(30-24-10-5-4-9-22(23)24)21-13-11-20(12-14-21)19-7-2-1-3-8-19/h1-5,7-14,17H,6,16,18H2,(H,29,31)