(6R)-2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-6-methoxycarbonyl-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: (6R)-2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-6-methoxycarbonyl-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate Openeye Name: (6R)-2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-6-methoxycarbonyl-5,5-dimethyl-3-oxo-cyclohexen-1-olate CAS Name: (6R)-2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-6-methoxycarbonyl-5,5-dimethyl-3-oxo-1-cyclohexenolate IUPAC Name: (6R)-2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-6-methoxycarbonyl-5,5-dimethyl-3-oxocyclohexen-1-olate Traditional Name: (6R)-6-carbomethoxy-2-(homoveratryliminomethyl)-3-keto-5,5-dimethyl-cyclohexen-1-olate Formula: C21H26NO6- MolecularWeight: 388.43424

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=C(C1C(=O)OC)[O-])C=NCCC2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CC1(CC(=O)C(=C([C@@H]1C(=O)OC)[O-])C=NCCC2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C21H27NO6/c1-21(2)11-15(23)14(19(24)18(21)20(25)28-5)12-22-9-8-13-6-7-16(26-3)17(10-13)27-4/h6-7,10,12,18,24H,8-9,11H2,1-5H3/p-1/t18-/m1/s1