[(2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate

Systemtic Name: [(2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-oxidanylidene-propan-2-yl] quinoline-2-carboxylate Openeye Name: [(1S)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-methyl-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [(2S)-1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-oxopropan-2-yl] quinoline-2-carboxylate Traditional Name: quinaldic acid [(1S)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C25H22N2O3 MolecularWeight: 398.45378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C(C)OC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)[C@H](C)OC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H22N2O3/c1-16-15-21(17(2)27(16)20-10-5-4-6-11-20)24(28)18(3)30-25(29)23-14-13-19-9-7-8-12-22(19)26-23/h4-15,18H,1-3H3/t18-/m0/s1