[(1S)-2-oxidanylidenecyclohexyl] (3E)-3-(phenylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] (3E)-3-(phenylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] (3E)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate CAS Name: (3E)-3-(phenylmethylene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] (3E)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Traditional Name: (3E)-3-benzal-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid [(1S)-2-ketocyclohexyl] ester Formula: C26H23NO3 MolecularWeight: 397.46572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=C3CCC(=CC4=CC=CC=C4)C3=NC5=CC=CC=C52

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=C3CC/C(=C\C4=CC=CC=C4)/C3=NC5=CC=CC=C52

InChI

InChI=1S/C26H23NO3/c28-22-12-6-7-13-23(22)30-26(29)24-19-10-4-5-11-21(19)27-25-18(14-15-20(24)25)16-17-8-2-1-3-9-17/h1-5,8-11,16,23H,6-7,12-15H2/b18-16+/t23-/m0/s1