[(1S)-2-oxidanylidenecyclohexyl] 2-(4-phenylphenyl)quinoline-4-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 2-(4-phenylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-phenylphenyl)-4-quinolinecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-phenylphenyl)cinchoninic acid [(1S)-2-ketocyclohexyl] ester Formula: C28H23NO3 MolecularWeight: 421.48712

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H23NO3/c30-26-12-6-7-13-27(26)32-28(31)23-18-25(29-24-11-5-4-10-22(23)24)21-16-14-20(15-17-21)19-8-2-1-3-9-19/h1-5,8-11,14-18,27H,6-7,12-13H2/t27-/m0/s1