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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)C5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)C5CCCCC5

InChI

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