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

Systemtic Name: 4-[[4-(dimethylphosphorylmethyl)piperazin-1-yl]methyl]benzoic acid Openeye Name: 4-[[4-(dimethylphosphorylmethyl)piperazin-1-yl]methyl]benzoic acid CAS Name: 4-[[4-(dimethylphosphorylmethyl)-1-piperazinyl]methyl]benzoic acid IUPAC Name: 4-[[4-(dimethylphosphorylmethyl)piperazin-1-yl]methyl]benzoic acid Traditional Name: 4-[[4-(dimethylphosphorylmethyl)piperazino]methyl]benzoic acid Formula: C15H23N2O3P MolecularWeight: 310.328481

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Descriptors Computed from Structure

Canonical SMILES:

CP(=O)(C)CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CP(=O)(C)CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H23N2O3P/c1-21(2,20)12-17-9-7-16(8-10-17)11-13-3-5-14(6-4-13)15(18)19/h3-6H,7-12H2,1-2H3,(H,18,19)