[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[(1-cyano-1-methyl-ethyl)-methyl-amino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[(1-cyano-1-methyl-ethyl)-methyl-amino]-2-keto-ethyl] ester Formula: C17H17N3O3 MolecularWeight: 311.33518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)N(C)C(=O)COC(=O)C1=NC2=CC=CC=C2C=C1

Isomeric SMILES

CC(C)(C#N)N(C)C(=O)COC(=O)C1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C17H17N3O3/c1-17(2,11-18)20(3)15(21)10-23-16(22)14-9-8-12-6-4-5-7-13(12)19-14/h4-9H,10H2,1-3H3