[(1R)-2-oxidanylidenecyclohexyl] (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: [(1R)-2-oxidanylidenecyclohexyl] (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [(1R)-2-oxocyclohexyl] (4E)-4-(1,3-benzodioxol-5-ylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [(1R)-2-oxocyclohexyl] ester IUPAC Name: [(1R)-2-oxocyclohexyl] (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-piperonylidene-2,3-dihydro-1H-acridine-9-carboxylic acid [(1R)-2-ketocyclohexyl] ester Formula: C28H25NO5 MolecularWeight: 455.5018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=C3CCCC(=CC4=CC5=C(C=C4)OCO5)C3=NC6=CC=CC=C62

Isomeric SMILES

C1CCC(=O)[C@@H](C1)OC(=O)C2=C3CCC/C(=C\C4=CC5=C(C=C4)OCO5)/C3=NC6=CC=CC=C62

InChI

InChI=1S/C28H25NO5/c30-22-10-3-4-11-23(22)34-28(31)26-19-7-1-2-9-21(19)29-27-18(6-5-8-20(26)27)14-17-12-13-24-25(15-17)33-16-32-24/h1-2,7,9,12-15,23H,3-6,8,10-11,16H2/b18-14+/t23-/m1/s1