[2-[4-(3-methoxyphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 8-chloranyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[4-(3-methoxyphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 8-chloranyl-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(3-methoxybenzoyl)oxyphenyl]-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-8-chloro-3-methyl-quinoline-4-carboxylate CAS Name: 8-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] 8-chloro-3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-8-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(=C1C(=O)OCC(=O)C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)OC)C=CC=C2Cl)C5=CC=C(C=C5)OCC6=CC=CC=C6

Isomeric SMILES

CC1=C(N=C2C(=C1C(=O)OCC(=O)C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)OC)C=CC=C2Cl)C5=CC=C(C=C5)OCC6=CC=CC=C6

InChI

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