[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(4-cyclohexylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(4-cyclohexylphenyl)quinoline-4-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 2-(4-cyclohexylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-cyclohexylphenyl)-4-quinolinecarboxylic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(4-cyclohexylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-cyclohexylphenyl)cinchoninic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C32H31NO3 MolecularWeight: 477.59344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H31NO3/c1-21-12-13-26(18-22(21)2)31(34)20-36-32(35)28-19-30(33-29-11-7-6-10-27(28)29)25-16-14-24(15-17-25)23-8-4-3-5-9-23/h6-7,10-19,23H,3-5,8-9,20H2,1-2H3