2-[carboxymethyl(methyl)amino]ethanoic acid; [4-(phenylcarbonyl)phenyl] phosphate

Systemtic Name: 2-[carboxymethyl(methyl)amino]ethanoic acid; [4-(phenylcarbonyl)phenyl] phosphate Openeye Name: (4-benzoylphenyl) phosphate; 2-[carboxymethyl(methyl)amino]acetic acid CAS Name: (4-benzoylphenyl) phosphate; 2-[carboxymethyl(methyl)amino]acetic acid IUPAC Name: (4-benzoylphenyl) phosphate; 2-[carboxymethyl(methyl)amino]acetic acid Traditional Name: (4-benzoylphenyl) phosphate; 2-[carboxymethyl(methyl)amino]acetic acid Formula: C18H18NO9P-2 MolecularWeight: 423.310581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)CC(=O)O.C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OP(=O)([O-])[O-]

Isomeric SMILES

CN(CC(=O)O)CC(=O)O.C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OP(=O)([O-])[O-]

InChI

InChI=1S/C13H11O5P.C5H9NO4/c14-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)18-19(15,16)17;1-6(2-4(7)8)3-5(9)10/h1-9H,(H2,15,16,17);2-3H2,1H3,(H,7,8)(H,9,10)/p-2