[2-[[(2S)-heptan-2-yl]amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[[(2S)-heptan-2-yl]amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[[(1S)-1-methylhexyl]amino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[[(2S)-heptan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-heptan-2-yl]amino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-keto-2-[[(1S)-1-methylhexyl]amino]ethyl] ester Formula: C19H24N2O3 MolecularWeight: 328.40546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)COC(=O)C1=NC2=CC=CC=C2C=C1

Isomeric SMILES

CCCCC[C@H](C)NC(=O)COC(=O)C1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C19H24N2O3/c1-3-4-5-8-14(2)20-18(22)13-24-19(23)17-12-11-15-9-6-7-10-16(15)21-17/h6-7,9-12,14H,3-5,8,13H2,1-2H3,(H,20,22)/t14-/m0/s1