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

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid [(1S)-2-ketocyclohexyl] ester Formula: C23H21NO3 MolecularWeight: 359.41774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC4CCCCC4=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O[C@H]4CCCCC4=O

InChI

InChI=1S/C23H21NO3/c1-15-10-12-16(13-11-15)20-14-18(17-6-2-3-7-19(17)24-20)23(26)27-22-9-5-4-8-21(22)25/h2-3,6-7,10-14,22H,4-5,8-9H2,1H3/t22-/m0/s1