O1-butyl O4-methyl 2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-3-(phosphorosooxymethyl)butanedioate

Systemtic Name: O1-butyl O4-methyl 2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-3-(phosphorosooxymethyl)butanedioate Openeye Name: O1-butyl O4-methyl 2-[1-(benzyloxycarbonylamino)-1-methyl-ethyl]-3-(phosphorosooxymethyl)butanedioate CAS Name: 2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-3-(phosphorosooxymethyl)butanedioic acid O1-butyl ester O4-methyl ester IUPAC Name: 1-O-butyl 4-O-methyl 2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-3-(phosphorosooxymethyl)butanedioate Traditional Name: 2-[1-(benzyloxycarbonylamino)-1-methyl-ethyl]-3-(phosphorosooxymethyl)succinic acid O1-butyl ester O4-methyl ester Formula: C21H30NO8P MolecularWeight: 455.438561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C(COP=O)C(=O)OC)C(C)(C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCOC(=O)C(C(COP=O)C(=O)OC)C(C)(C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H30NO8P/c1-5-6-12-28-19(24)17(16(14-30-31-26)18(23)27-4)21(2,3)22-20(25)29-13-15-10-8-7-9-11-15/h7-11,16-17H,5-6,12-14H2,1-4H3,(H,22,25)