methyl 4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-6-oxidanylidene-cyclohexen-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-6-oxidanylidene-cyclohexen-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-6-oxo-cyclohexen-1-yl]-4-oxo-butanoate CAS Name: 4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-6-oxo-1-cyclohexenyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-6-oxocyclohexen-1-yl]-4-oxobutanoate Traditional Name: 4-[2-(homoveratrylamino)-6-keto-cyclohexen-1-yl]-4-keto-butyric acid methyl ester Formula: C21H27NO6 MolecularWeight: 389.44218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C(=O)CCC2)C(=O)CCC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C(=O)CCC2)C(=O)CCC(=O)OC)OC

InChI

InChI=1S/C21H27NO6/c1-26-18-9-7-14(13-19(18)27-2)11-12-22-15-5-4-6-16(23)21(15)17(24)8-10-20(25)28-3/h7,9,13,22H,4-6,8,10-12H2,1-3H3