4-[[4-(2-phosphorosopropan-2-yl)piperazin-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-(2-phosphorosopropan-2-yl)piperazin-1-yl]methyl]benzoic acid Openeye Name: 4-[[4-(1-methyl-1-phosphoroso-ethyl)piperazin-1-yl]methyl]benzoic acid CAS Name: 4-[[4-(2-phosphorosopropan-2-yl)-1-piperazinyl]methyl]benzoic acid IUPAC Name: 4-[[4-(2-phosphorosopropan-2-yl)piperazin-1-yl]methyl]benzoic acid Traditional Name: 4-[[4-(1-methyl-1-phosphoroso-ethyl)piperazino]methyl]benzoic acid Formula: C15H21N2O3P MolecularWeight: 308.312601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(N1CCN(CC1)CC2=CC=C(C=C2)C(=O)O)P=O

Isomeric SMILES

CC(C)(N1CCN(CC1)CC2=CC=C(C=C2)C(=O)O)P=O

InChI

InChI=1S/C15H21N2O3P/c1-15(2,21-20)17-9-7-16(8-10-17)11-12-3-5-13(6-4-12)14(18)19/h3-6H,7-11H2,1-2H3,(H,18,19)