diethyl 2-acetamido-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]propanedioate CAS Name: 2-acetamido-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]propanedioate Traditional Name: 2-acetamido-2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]malonic acid diethyl ester Formula: C21H30N2O7 MolecularWeight: 422.4721

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CN1CCC2=CC(=C(C=C2C1)OC)OC)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CN1CCC2=CC(=C(C=C2C1)OC)OC)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C21H30N2O7/c1-6-29-19(25)21(22-14(3)24,20(26)30-7-2)13-23-9-8-15-10-17(27-4)18(28-5)11-16(15)12-23/h10-11H,6-9,12-13H2,1-5H3,(H,22,24)