dimethyl 7-[(E)-2-diethoxyphosphorylethenyl]-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate

Systemtic Name: dimethyl 7-[(E)-2-diethoxyphosphorylethenyl]-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate Openeye Name: dimethyl 7-[(E)-2-diethoxyphosphorylvinyl]-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate CAS Name: 7-[(E)-2-diethoxyphosphorylethenyl]-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 7-[(E)-2-diethoxyphosphorylethenyl]-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate Traditional Name: 7-[(E)-2-diethoxyphosphorylvinyl]-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid dimethyl ester Formula: C19H26NO7P MolecularWeight: 411.386001

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C=CC1=CC2=C(CC(N(C2)C(=O)OC)C(=O)OC)C=C1)OCC

Isomeric SMILES

CCOP(=O)(/C=C/C1=CC2=C(CC(N(C2)C(=O)OC)C(=O)OC)C=C1)OCC

InChI

InChI=1S/C19H26NO7P/c1-5-26-28(23,27-6-2)10-9-14-7-8-15-12-17(18(21)24-3)20(19(22)25-4)13-16(15)11-14/h7-11,17H,5-6,12-13H2,1-4H3/b10-9+