dimethyl 7-methoxy-1-[(4-oxidanylidenecyclohex-2-en-1-yl)methyl]-3,4-dihydro-1H-isoquinoline-2,6-dicarboxylate

Systemtic Name: dimethyl 7-methoxy-1-[(4-oxidanylidenecyclohex-2-en-1-yl)methyl]-3,4-dihydro-1H-isoquinoline-2,6-dicarboxylate Openeye Name: dimethyl 7-methoxy-1-[(4-oxocyclohex-2-en-1-yl)methyl]-3,4-dihydro-1H-isoquinoline-2,6-dicarboxylate CAS Name: 7-methoxy-1-[(4-oxo-1-cyclohex-2-enyl)methyl]-3,4-dihydro-1H-isoquinoline-2,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 7-methoxy-1-[(4-oxocyclohex-2-en-1-yl)methyl]-3,4-dihydro-1H-isoquinoline-2,6-dicarboxylate Traditional Name: 1-[(4-ketocyclohex-2-en-1-yl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinoline-2,6-dicarboxylic acid dimethyl ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CCN(C2CC3CCC(=O)C=C3)C(=O)OC)C=C1C(=O)OC

Isomeric SMILES

COC1=CC2=C(CCN(C2CC3CCC(=O)C=C3)C(=O)OC)C=C1C(=O)OC

InChI

InChI=1S/C21H25NO6/c1-26-19-12-16-14(11-17(19)20(24)27-2)8-9-22(21(25)28-3)18(16)10-13-4-6-15(23)7-5-13/h4,6,11-13,18H,5,7-10H2,1-3H3