(phenylmethyl) (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-dimethoxyphosphoryl-butanoate

Systemtic Name: (phenylmethyl) (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-dimethoxyphosphoryl-butanoate Openeye Name: benzyl (2S)-4-dimethoxyphosphoryl-2-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: (2S)-4-dimethoxyphosphoryl-2-(1,3-dioxo-2-isoindolyl)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-4-dimethoxyphosphoryl-2-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: (2S)-4-dimethoxyphosphoryl-2-phthalimido-butyric acid benzyl ester Formula: C21H22NO7P MolecularWeight: 431.375641

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(CCC(C(=O)OCC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O)OC

Isomeric SMILES

COP(=O)(CC[C@@H](C(=O)OCC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C21H22NO7P/c1-27-30(26,28-2)13-12-18(21(25)29-14-15-8-4-3-5-9-15)22-19(23)16-10-6-7-11-17(16)20(22)24/h3-11,18H,12-14H2,1-2H3/t18-/m0/s1