4-[[4-(diethoxyphosphorylmethyl)piperazin-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-(diethoxyphosphorylmethyl)piperazin-1-yl]methyl]benzoic acid Openeye Name: 4-[[4-(diethoxyphosphorylmethyl)piperazin-1-yl]methyl]benzoic acid CAS Name: 4-[[4-(diethoxyphosphorylmethyl)-1-piperazinyl]methyl]benzoic acid IUPAC Name: 4-[[4-(diethoxyphosphorylmethyl)piperazin-1-yl]methyl]benzoic acid Traditional Name: 4-[[4-(diethoxyphosphorylmethyl)piperazino]methyl]benzoic acid Formula: C17H27N2O5P MolecularWeight: 370.380441

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)O)OCC

Isomeric SMILES

CCOP(=O)(CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)O)OCC

InChI

InChI=1S/C17H27N2O5P/c1-3-23-25(22,24-4-2)14-19-11-9-18(10-12-19)13-15-5-7-16(8-6-15)17(20)21/h5-8H,3-4,9-14H2,1-2H3,(H,20,21)