2-[phenylmethoxycarbonyl(phosphonomethyl)amino]butanoic acid dichloride

Systemtic Name: 2-[phenylmethoxycarbonyl(phosphonomethyl)amino]butanoic acid dichloride Openeye Name: 2-[benzyloxycarbonyl(phosphonomethyl)amino]butanoic acid dichloride CAS Name: 2-[phenylmethoxycarbonyl(phosphonomethyl)amino]butanoic acid dichloride IUPAC Name: 2-[phenylmethoxycarbonyl(phosphonomethyl)amino]butanoic acid dichloride Traditional Name: 2-[carbobenzoxy(phosphonomethyl)amino]butyric acid dichloride Formula: C13H18Cl2NO7P-2 MolecularWeight: 402.164281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N(CP(=O)(O)O)C(=O)OCC1=CC=CC=C1.[Cl-].[Cl-]

Isomeric SMILES

CCC(C(=O)O)N(CP(=O)(O)O)C(=O)OCC1=CC=CC=C1.[Cl-].[Cl-]

InChI

InChI=1S/C13H18NO7P.2ClH/c1-2-11(12(15)16)14(9-22(18,19)20)13(17)21-8-10-6-4-3-5-7-10;;/h3-7,11H,2,8-9H2,1H3,(H,15,16)(H2,18,19,20);2*1H/p-2