tert-butyl (2R)-3-cyano-3-diethoxyphosphoryl-2-[(3,4-dimethoxyphenyl)methyl]propanoate

Systemtic Name: tert-butyl (2R)-3-cyano-3-diethoxyphosphoryl-2-[(3,4-dimethoxyphenyl)methyl]propanoate Openeye Name: tert-butyl (2R)-3-cyano-3-diethoxyphosphoryl-2-[(3,4-dimethoxyphenyl)methyl]propanoate CAS Name: (2R)-3-cyano-3-diethoxyphosphoryl-2-[(3,4-dimethoxyphenyl)methyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-3-cyano-3-diethoxyphosphoryl-2-[(3,4-dimethoxyphenyl)methyl]propanoate Traditional Name: (2R)-3-cyano-3-diethoxyphosphoryl-2-veratryl-propionic acid tert-butyl ester Formula: C21H32NO7P MolecularWeight: 441.455041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOP(=O)(C(C#N)[C@H](CC1=CC(=C(C=C1)OC)OC)C(=O)OC(C)(C)C)OCC

InChI

InChI=1S/C21H32NO7P/c1-8-27-30(24,28-9-2)19(14-22)16(20(23)29-21(3,4)5)12-15-10-11-17(25-6)18(13-15)26-7/h10-11,13,16,19H,8-9,12H2,1-7H3/t16-,19?/m0/s1