[(2R)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl] 2-(4-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: [(2R)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl] 2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: [(1R)-2-(dimethylamino)-1-methyl-2-oxo-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-4-quinolinecarboxylic acid [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-chlorophenyl)cinchoninic acid [(1R)-2-(dimethylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H19ClN2O3 MolecularWeight: 382.84016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O3/c1-13(20(25)24(2)3)27-21(26)17-12-19(14-8-10-15(22)11-9-14)23-18-7-5-4-6-16(17)18/h4-13H,1-3H3/t13-/m1/s1