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

Systemtic Name: [2-[4-(3-methoxyphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-chloranyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(3-methoxybenzoyl)oxyphenyl]-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-6-chloro-quinoline-4-carboxylate CAS Name: 6-chloro-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-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6-chloro-cinchoninic acid [2-keto-2-(4-m-anisoyloxyphenyl)ethyl] ester Formula: C39H28ClNO7 MolecularWeight: 658.09512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=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

COC1=CC=CC(=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/C39H28ClNO7/c1-45-32-9-5-8-28(20-32)38(43)48-31-17-12-27(13-18-31)37(42)24-47-39(44)34-22-36(41-35-19-14-29(40)21-33(34)35)26-10-15-30(16-11-26)46-23-25-6-3-2-4-7-25/h2-22H,23-24H2,1H3