[(1S)-2-oxidanylidenecyclohexyl] (4E)-4-(phenylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] (4E)-4-(phenylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] (4E)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4E)-4-(phenylmethylene)-2,3-dihydro-1H-acridine-9-carboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] (4E)-4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-benzal-2,3-dihydro-1H-acridine-9-carboxylic acid [(1S)-2-ketocyclohexyl] ester Formula: C27H25NO3 MolecularWeight: 411.4923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=C3CCCC(=CC4=CC=CC=C4)C3=NC5=CC=CC=C52

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=C3CCC/C(=C\C4=CC=CC=C4)/C3=NC5=CC=CC=C52

InChI

InChI=1S/C27H25NO3/c29-23-15-6-7-16-24(23)31-27(30)25-20-12-4-5-14-22(20)28-26-19(11-8-13-21(25)26)17-18-9-2-1-3-10-18/h1-5,9-10,12,14,17,24H,6-8,11,13,15-16H2/b19-17+/t24-/m0/s1