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

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] (2R,4E)-2-methyl-4-(phenylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] (2R,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (2R,4E)-2-methyl-4-(phenylmethylene)-2,3-dihydro-1H-acridine-9-carboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] (2R,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (2R,4E)-4-benzal-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid [(1S)-2-ketocyclohexyl] ester Formula: C28H27NO3 MolecularWeight: 425.51888

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC2=CC=CC=C2)C3=NC4=CC=CC=C4C(=C3C1)C(=O)OC5CCCCC5=O

Isomeric SMILES

C[C@@H]1C/C(=C\C2=CC=CC=C2)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)O[C@H]5CCCCC5=O

InChI

InChI=1S/C28H27NO3/c1-18-15-20(17-19-9-3-2-4-10-19)27-22(16-18)26(21-11-5-6-12-23(21)29-27)28(31)32-25-14-8-7-13-24(25)30/h2-6,9-12,17-18,25H,7-8,13-16H2,1H3/b20-17+/t18-,25+/m1/s1