[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5)C)C

InChI

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