[2-(4-acetyloxyphenyl)-2-oxidanylidene-ethyl] 2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-acetyloxyphenyl)-2-oxidanylidene-ethyl] 2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(4-acetoxyphenyl)-2-oxo-ethyl] 2-(4-benzyloxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-(4-acetyloxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyloxyphenyl)-2-oxoethyl] 2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)cinchoninic acid [2-(4-acetoxyphenyl)-2-keto-ethyl] ester Formula: C33H25NO6 MolecularWeight: 531.5547

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C33H25NO6/c1-22(35)40-27-17-13-25(14-18-27)32(36)21-39-33(37)29-19-31(34-30-10-6-5-9-28(29)30)24-11-15-26(16-12-24)38-20-23-7-3-2-4-8-23/h2-19H,20-21H2,1H3