3-(2-diethoxyphosphorylethanoyl)-1-phenylmethoxycarbonyl-piperidine-2-carboxylic acid

Systemtic Name: 3-(2-diethoxyphosphorylethanoyl)-1-phenylmethoxycarbonyl-piperidine-2-carboxylic acid Openeye Name: 1-benzyloxycarbonyl-3-(2-diethoxyphosphorylacetyl)piperidine-2-carboxylic acid CAS Name: 3-(2-diethoxyphosphoryl-1-oxoethyl)-1-phenylmethoxycarbonyl-2-piperidinecarboxylic acid IUPAC Name: 3-(2-diethoxyphosphorylacetyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid Traditional Name: 1-carbobenzoxy-3-(2-diethoxyphosphorylacetyl)pipecolinic acid Formula: C20H28NO8P MolecularWeight: 441.411981

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC(=O)C1CCCN(C1C(=O)O)C(=O)OCC2=CC=CC=C2)OCC

Isomeric SMILES

CCOP(=O)(CC(=O)C1CCCN(C1C(=O)O)C(=O)OCC2=CC=CC=C2)OCC

InChI

InChI=1S/C20H28NO8P/c1-3-28-30(26,29-4-2)14-17(22)16-11-8-12-21(18(16)19(23)24)20(25)27-13-15-9-6-5-7-10-15/h5-7,9-10,16,18H,3-4,8,11-14H2,1-2H3,(H,23,24)