[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-quinolin-2-ylpropanoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-quinolin-2-ylpropanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 3-(2-quinolyl)propanoate CAS Name: 3-(2-quinolinyl)propanoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 3-quinolin-2-ylpropanoate Traditional Name: 3-(2-quinolyl)propionic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C22H19N3O3 MolecularWeight: 373.40456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)CCC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)CCC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H19N3O3/c23-14-15-25(19-7-2-1-3-8-19)21(26)16-28-22(27)13-12-18-11-10-17-6-4-5-9-20(17)24-18/h1-11H,12-13,15-16H2