[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 2-pyridin-4-ylquinoline-4-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 2-pyridin-4-ylquinoline-4-carboxylate Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] 2-(4-pyridyl)quinoline-4-carboxylate CAS Name: 2-pyridin-4-yl-4-quinolinecarboxylic acid [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-pyridin-4-ylquinoline-4-carboxylate Traditional Name: 2-(4-pyridyl)cinchoninic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=NC=C3

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=NC=C3

InChI

InChI=1S/C21H21N3O3/c1-13(2)23-20(25)14(3)27-21(26)17-12-19(15-8-10-22-11-9-15)24-18-7-5-4-6-16(17)18/h4-14H,1-3H3,(H,23,25)/t14-/m0/s1