[2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: [2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: [2-(dibenzylamino)-2-oxo-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-4-quinolinecarboxylic acid [2-[bis(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-(dibenzylamino)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-chlorophenyl)cinchoninic acid [2-(dibenzylamino)-2-keto-ethyl] ester Formula: C32H25ClN2O3 MolecularWeight: 521.0055

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C32H25ClN2O3/c33-26-17-15-25(16-18-26)30-19-28(27-13-7-8-14-29(27)34-30)32(37)38-22-31(36)35(20-23-9-3-1-4-10-23)21-24-11-5-2-6-12-24/h1-19H,20-22H2