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

Systemtic Name: [1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl] 2-(4-benzyloxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [1-(4-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)cinchoninic acid [2-(4-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C32H24ClNO4 MolecularWeight: 521.99026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Cl)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Cl)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C32H24ClNO4/c1-21(31(35)24-11-15-25(33)16-12-24)38-32(36)28-19-30(34-29-10-6-5-9-27(28)29)23-13-17-26(18-14-23)37-20-22-7-3-2-4-8-22/h2-19,21H,20H2,1H3