dimethyl (Z)-2-diethoxyphosphoryl-3-[diethylamino(pyridin-4-yl)methyl]but-2-enedioate

Systemtic Name: dimethyl (Z)-2-diethoxyphosphoryl-3-[diethylamino(pyridin-4-yl)methyl]but-2-enedioate Openeye Name: dimethyl (Z)-2-diethoxyphosphoryl-3-[diethylamino(4-pyridyl)methyl]but-2-enedioate CAS Name: (Z)-2-diethoxyphosphoryl-3-[diethylamino(pyridin-4-yl)methyl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (Z)-2-diethoxyphosphoryl-3-[diethylamino(pyridin-4-yl)methyl]but-2-enedioate Traditional Name: (Z)-2-diethoxyphosphoryl-3-[diethylamino(4-pyridyl)methyl]but-2-enedioic acid dimethyl ester Formula: C20H31N2O7P MolecularWeight: 442.443101

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(C1=CC=NC=C1)C(=C(C(=O)OC)P(=O)(OCC)OCC)C(=O)OC

Isomeric SMILES

CCN(CC)C(C1=CC=NC=C1)/C(=C(\C(=O)OC)/P(=O)(OCC)OCC)/C(=O)OC

InChI

InChI=1S/C20H31N2O7P/c1-7-22(8-2)17(15-11-13-21-14-12-15)16(19(23)26-5)18(20(24)27-6)30(25,28-9-3)29-10-4/h11-14,17H,7-10H2,1-6H3/b18-16-