[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H21N3O3 MolecularWeight: 339.38834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)C1=NC2=CC=CC=C2C=C1

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)C1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C19H21N3O3/c1-12(2)19(4,11-20)22-17(23)13(3)25-18(24)16-10-9-14-7-5-6-8-15(14)21-16/h5-10,12-13H,1-4H3,(H,22,23)