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

Systemtic Name: [2-[4-(3-methoxyphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-chloranyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(3-methoxybenzoyl)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-[(3-methoxyphenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methoxybenzoyl)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-m-anisoyloxyphenyl)ethyl] ester Formula: C40H30ClNO7 MolecularWeight: 672.1217

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC(=CC2=C1C(=O)OCC(=O)C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)OC)Cl)C5=CC=C(C=C5)OCC6=CC=CC=C6

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)OCC(=O)C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)OC)Cl)C5=CC=C(C=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C40H30ClNO7/c1-25-37(40(45)48-24-36(43)27-11-18-32(19-12-27)49-39(44)29-9-6-10-33(21-29)46-2)34-22-30(41)15-20-35(34)42-38(25)28-13-16-31(17-14-28)47-23-26-7-4-3-5-8-26/h3-22H,23-24H2,1-2H3