[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-cyclopropylquinoline-4-carboxylate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-cyclopropylquinoline-4-carboxylate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 2-cyclopropylquinoline-4-carboxylate CAS Name: 2-cyclopropyl-4-quinolinecarboxylic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate Traditional Name: 2-cyclopropylcinchoninic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C23H19N3O3 MolecularWeight: 385.41526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=CC=C(C=C4)CC#N

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=CC=C(C=C4)CC#N

InChI

InChI=1S/C23H19N3O3/c24-12-11-15-5-9-17(10-6-15)25-22(27)14-29-23(28)19-13-21(16-7-8-16)26-20-4-2-1-3-18(19)20/h1-6,9-10,13,16H,7-8,11,14H2,(H,25,27)