[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 6-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate

Systemtic Name: [1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 6-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate Openeye Name: [2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] 6-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate CAS Name: 6-methyl-2-(4-phenylphenyl)-4-quinolinecarboxylic acid [1-(3-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chlorophenyl)-1-oxopropan-2-yl] 6-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate Traditional Name: 6-methyl-2-(4-phenylphenyl)cinchoninic acid [2-(3-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C32H24ClNO3 MolecularWeight: 505.99086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OC(C)C(=O)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OC(C)C(=O)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H24ClNO3/c1-20-11-16-29-27(17-20)28(32(36)37-21(2)31(35)25-9-6-10-26(33)18-25)19-30(34-29)24-14-12-23(13-15-24)22-7-4-3-5-8-22/h3-19,21H,1-2H3