[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(2-chlorophenyl)-4-quinolinecarboxylic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(2-chlorophenyl)cinchoninic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H21ClN2O3/c1-14(2)12-24-21(26)13-28-22(27)17-11-20(16-8-3-5-9-18(16)23)25-19-10-6-4-7-15(17)19/h3-11,14H,12-13H2,1-2H3,(H,24,26)