[(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] 4,5-dimethoxy-3-oxidanylidene-1H-isoindole-2-carboxylate

Systemtic Name: [(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] 4,5-dimethoxy-3-oxidanylidene-1H-isoindole-2-carboxylate Openeye Name: [(1S,2R)-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] 6,7-dimethoxy-1-oxo-isoindoline-2-carboxylate CAS Name: 4,5-dimethoxy-3-oxo-1H-isoindole-2-carboxylic acid [(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl] 4,5-dimethoxy-3-oxo-1H-isoindole-2-carboxylate Traditional Name: 1-keto-6,7-dimethoxy-isoindoline-2-carboxylic acid [(1S,2R)-2-cumylcyclohexyl] ester Formula: C26H31NO5 MolecularWeight: 437.52804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CCCCC1OC(=O)N2CC3=C(C2=O)C(=C(C=C3)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CC(C)([C@H]1CCCC[C@@H]1OC(=O)N2CC3=C(C2=O)C(=C(C=C3)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C26H31NO5/c1-26(2,18-10-6-5-7-11-18)19-12-8-9-13-20(19)32-25(29)27-16-17-14-15-21(30-3)23(31-4)22(17)24(27)28/h5-7,10-11,14-15,19-20H,8-9,12-13,16H2,1-4H3/t19-,20-/m0/s1