[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 6-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 6-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 6-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate CAS Name: 6-methyl-2-(4-phenylphenyl)-4-quinolinecarboxylic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 6-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate Traditional Name: 6-methyl-2-(4-phenylphenyl)cinchoninic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C33H27NO3 MolecularWeight: 485.57238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=C(C=CC(=C3)C)C)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=C(C=CC(=C3)C)C)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H27NO3/c1-21-9-11-23(3)27(17-21)32(35)20-37-33(36)29-19-31(34-30-16-10-22(2)18-28(29)30)26-14-12-25(13-15-26)24-7-5-4-6-8-24/h4-19H,20H2,1-3H3