[(2R)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] quinoline-2-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] quinoline-2-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] quinoline-2-carboxylate Traditional Name: quinaldic acid [(1R)-2-keto-2-mesidino-1-methyl-ethyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=NC3=CC=CC=C3C=C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)[C@@H](C)OC(=O)C2=NC3=CC=CC=C3C=C2)C

InChI

InChI=1S/C22H22N2O3/c1-13-11-14(2)20(15(3)12-13)24-21(25)16(4)27-22(26)19-10-9-17-7-5-6-8-18(17)23-19/h5-12,16H,1-4H3,(H,24,25)/t16-/m1/s1