[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-(4-cyclohexylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-(4-cyclohexylphenyl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 2-(4-cyclohexylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-cyclohexylphenyl)-4-quinolinecarboxylic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 2-(4-cyclohexylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-cyclohexylphenyl)cinchoninic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C31H29NO3 MolecularWeight: 463.56686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5CCCCC5

InChI

InChI=1S/C31H29NO3/c1-21-11-13-25(14-12-21)30(33)20-35-31(34)27-19-29(32-28-10-6-5-9-26(27)28)24-17-15-23(16-18-24)22-7-3-2-4-8-22/h5-6,9-19,22H,2-4,7-8,20H2,1H3