[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-phenyl-4-quinolinecarboxylic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-methyl-2-phenyl-cinchoninic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C28H25NO3 MolecularWeight: 423.503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25NO3/c1-17-14-19(3)23(15-18(17)2)25(30)16-32-28(31)26-20(4)27(21-10-6-5-7-11-21)29-24-13-9-8-12-22(24)26/h5-15H,16H2,1-4H3