[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: [2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: [2-(diisopropylamino)-2-oxo-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-4-quinolinecarboxylic acid [2-[di(propan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-chlorophenyl)cinchoninic acid [2-(diisopropylamino)-2-keto-ethyl] ester Formula: C24H25ClN2O3 MolecularWeight: 424.9199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN2O3/c1-15(2)27(16(3)4)23(28)14-30-24(29)20-13-22(17-9-11-18(25)12-10-17)26-21-8-6-5-7-19(20)21/h5-13,15-16H,14H2,1-4H3