[2-[4-(4-methylphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-chloranyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[4-(4-methylphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-chloranyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-6-chloro-quinoline-4-carboxylate CAS Name: 6-chloro-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-[4-[(4-methylphenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxoethyl] 6-chloro-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-chloro-cinchoninic acid [2-keto-2-(4-p-toluoyloxyphenyl)ethyl] ester Formula: C39H28ClNO6 MolecularWeight: 642.09572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=C(C=C5)OCC6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=C(C=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C39H28ClNO6/c1-25-7-9-29(10-8-25)38(43)47-32-18-13-28(14-19-32)37(42)24-46-39(44)34-22-36(41-35-20-15-30(40)21-33(34)35)27-11-16-31(17-12-27)45-23-26-5-3-2-4-6-26/h2-22H,23-24H2,1H3