[2-[4-(4-methylphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-chloranyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[4-(4-methylphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-chloranyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-6-chloro-3-methyl-quinoline-4-carboxylate CAS Name: 6-chloro-3-methyl-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-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-chloro-3-methyl-cinchoninic acid [2-keto-2-(4-p-toluoyloxyphenyl)ethyl] ester Formula: C40H30ClNO6 MolecularWeight: 656.1223

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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=C4C=C(C=CC4=NC(=C3C)C5=CC=C(C=C5)OCC6=CC=CC=C6)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3=C4C=C(C=CC4=NC(=C3C)C5=CC=C(C=C5)OCC6=CC=CC=C6)Cl

InChI

InChI=1S/C40H30ClNO6/c1-25-8-10-30(11-9-25)39(44)48-33-19-12-28(13-20-33)36(43)24-47-40(45)37-26(2)38(42-35-21-16-31(41)22-34(35)37)29-14-17-32(18-15-29)46-23-27-6-4-3-5-7-27/h3-22H,23-24H2,1-2H3