[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C22H19N3O3 MolecularWeight: 373.40456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C22H19N3O3/c1-16-14-19(18-10-5-6-11-20(18)24-16)22(27)28-15-21(26)25(13-7-12-23)17-8-3-2-4-9-17/h2-6,8-11,14H,7,13,15H2,1H3