dimethyl (Z)-2-diethoxyphosphoryl-3-[phenyl(pyrrolidin-1-yl)methyl]but-2-enedioate

Systemtic Name: dimethyl (Z)-2-diethoxyphosphoryl-3-[phenyl(pyrrolidin-1-yl)methyl]but-2-enedioate Openeye Name: dimethyl (Z)-2-diethoxyphosphoryl-3-[phenyl(pyrrolidin-1-yl)methyl]but-2-enedioate CAS Name: (Z)-2-diethoxyphosphoryl-3-[phenyl(1-pyrrolidinyl)methyl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (Z)-2-diethoxyphosphoryl-3-[phenyl(pyrrolidin-1-yl)methyl]but-2-enedioate Traditional Name: (Z)-2-diethoxyphosphoryl-3-[phenyl(pyrrolidino)methyl]but-2-enedioic acid dimethyl ester Formula: C21H30NO7P MolecularWeight: 439.439161

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(=C(C(C1=CC=CC=C1)N2CCCC2)C(=O)OC)C(=O)OC)OCC

Isomeric SMILES

CCOP(=O)(/C(=C(/C(C1=CC=CC=C1)N2CCCC2)\C(=O)OC)/C(=O)OC)OCC

InChI

InChI=1S/C21H30NO7P/c1-5-28-30(25,29-6-2)19(21(24)27-4)17(20(23)26-3)18(22-14-10-11-15-22)16-12-8-7-9-13-16/h7-9,12-13,18H,5-6,10-11,14-15H2,1-4H3/b19-17-