2-(carboxymethylamino)ethanoic acid; [2,6-dimethyl-4-(phenylcarbonyl)phenyl] phosphate

Systemtic Name: 2-(carboxymethylamino)ethanoic acid; [2,6-dimethyl-4-(phenylcarbonyl)phenyl] phosphate Openeye Name: (4-benzoyl-2,6-dimethyl-phenyl) phosphate; 2-(carboxymethylamino)acetic acid CAS Name: (4-benzoyl-2,6-dimethylphenyl) phosphate; 2-(carboxymethylamino)acetic acid IUPAC Name: (4-benzoyl-2,6-dimethylphenyl) phosphate; 2-(carboxymethylamino)acetic acid Traditional Name: (4-benzoyl-2,6-dimethyl-phenyl) phosphate; 2-(carboxymethylamino)acetic acid Formula: C19H20NO9P-2 MolecularWeight: 437.337161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OP(=O)([O-])[O-])C)C(=O)C2=CC=CC=C2.C(C(=O)O)NCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OP(=O)([O-])[O-])C)C(=O)C2=CC=CC=C2.C(C(=O)O)NCC(=O)O

InChI

InChI=1S/C15H15O5P.C4H7NO4/c1-10-8-13(14(16)12-6-4-3-5-7-12)9-11(2)15(10)20-21(17,18)19;6-3(7)1-5-2-4(8)9/h3-9H,1-2H3,(H2,17,18,19);5H,1-2H2,(H,6,7)(H,8,9)/p-2