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

Systemtic Name: [2-[4-(2-methylphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 3,6-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-[4-(2-methylbenzoyl)oxyphenyl]-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-3,6-dimethyl-quinoline-4-carboxylate CAS Name: 3,6-dimethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-[4-[(2-methylphenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methylbenzoyl)oxyphenyl]-2-oxoethyl] 3,6-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-3,6-dimethyl-cinchoninic acid [2-keto-2-(4-o-toluoyloxyphenyl)ethyl] ester Formula: C41H33NO6 MolecularWeight: 635.70382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(N=C2C=C1)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)OCC(=O)C5=CC=C(C=C5)OC(=O)C6=CC=CC=C6C

Isomeric SMILES

CC1=CC2=C(C(=C(N=C2C=C1)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)OCC(=O)C5=CC=C(C=C5)OC(=O)C6=CC=CC=C6C

InChI

InChI=1S/C41H33NO6/c1-26-13-22-36-35(23-26)38(28(3)39(42-36)31-16-18-32(19-17-31)46-24-29-10-5-4-6-11-29)41(45)47-25-37(43)30-14-20-33(21-15-30)48-40(44)34-12-8-7-9-27(34)2/h4-23H,24-25H2,1-3H3