4-[bis(2,2-dimethylpropanoyloxymethoxy)phosphorylmethyl]-1-phenylmethoxycarbonyl-piperidine-2-carboxylic acid

Systemtic Name: 4-[bis(2,2-dimethylpropanoyloxymethoxy)phosphorylmethyl]-1-phenylmethoxycarbonyl-piperidine-2-carboxylic acid Openeye Name: 1-benzyloxycarbonyl-4-[bis(2,2-dimethylpropanoyloxymethoxy)phosphorylmethyl]piperidine-2-carboxylic acid CAS Name: 4-[bis[(2,2-dimethyl-1-oxopropoxy)methoxy]phosphorylmethyl]-1-phenylmethoxycarbonyl-2-piperidinecarboxylic acid IUPAC Name: 4-[bis(2,2-dimethylpropanoyloxymethoxy)phosphorylmethyl]-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid Traditional Name: 4-[bis(pivaloyloxymethoxy)phosphorylmethyl]-1-carbobenzoxy-pipecolinic acid Formula: C27H40NO11P MolecularWeight: 585.580361

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOP(=O)(CC1CCN(C(C1)C(=O)O)C(=O)OCC2=CC=CC=C2)OCOC(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)OCOP(=O)(CC1CCN(C(C1)C(=O)O)C(=O)OCC2=CC=CC=C2)OCOC(=O)C(C)(C)C

InChI

InChI=1S/C27H40NO11P/c1-26(2,3)23(31)36-17-38-40(34,39-18-37-24(32)27(4,5)6)16-20-12-13-28(21(14-20)22(29)30)25(33)35-15-19-10-8-7-9-11-19/h7-11,20-21H,12-18H2,1-6H3,(H,29,30)