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

Systemtic Name: 4-[[4-[diethoxy(phosphoroso)methyl]piperazin-1-yl]methyl]benzoic acid Openeye Name: 4-[[4-[diethoxy(phosphoroso)methyl]piperazin-1-yl]methyl]benzoic acid CAS Name: 4-[[4-[diethoxy(phosphoroso)methyl]-1-piperazinyl]methyl]benzoic acid IUPAC Name: 4-[[4-[diethoxy(phosphoroso)methyl]piperazin-1-yl]methyl]benzoic acid Traditional Name: 4-[[4-[diethoxy(phosphoroso)methyl]piperazino]methyl]benzoic acid Formula: C17H25N2O5P MolecularWeight: 368.364561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N2O5P/c1-3-23-17(25-22,24-4-2)19-11-9-18(10-12-19)13-14-5-7-15(8-6-14)16(20)21/h5-8H,3-4,9-13H2,1-2H3,(H,20,21)