[2-oxidanylidene-2-[4-(phenylcarbonyloxy)phenyl]ethyl] 6,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylcarbonyloxy)phenyl]ethyl] 6,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-benzoyloxyphenyl)-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-6,8-dimethyl-quinoline-4-carboxylate CAS Name: 6,8-dimethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-(4-benzoyloxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-benzoyloxyphenyl)-2-oxoethyl] 6,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-6,8-dimethyl-cinchoninic acid [2-(4-benzoyloxyphenyl)-2-keto-ethyl] ester Formula: C40H31NO6 MolecularWeight: 621.67724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OCC(=O)C5=CC=C(C=C5)OC(=O)C6=CC=CC=C6)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OCC(=O)C5=CC=C(C=C5)OC(=O)C6=CC=CC=C6)C

InChI

InChI=1S/C40H31NO6/c1-26-21-27(2)38-34(22-26)35(23-36(41-38)29-13-17-32(18-14-29)45-24-28-9-5-3-6-10-28)40(44)46-25-37(42)30-15-19-33(20-16-30)47-39(43)31-11-7-4-8-12-31/h3-23H,24-25H2,1-2H3