2-[[oxidanyl-(phenylmethyl)phosphoryl]methyl]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 2-[[oxidanyl-(phenylmethyl)phosphoryl]methyl]-3-pyridin-3-yl-propanoic acid Openeye Name: 2-[[benzyl(hydroxy)phosphoryl]methyl]-3-(3-pyridyl)propanoic acid CAS Name: 2-[[hydroxy-(phenylmethyl)phosphoryl]methyl]-3-(3-pyridinyl)propanoic acid IUPAC Name: 2-[[benzyl(hydroxy)phosphoryl]methyl]-3-pyridin-3-ylpropanoic acid Traditional Name: 2-[[benzyl(hydroxy)phosphoryl]methyl]-3-(3-pyridyl)propionic acid Formula: C16H18NO4P MolecularWeight: 319.292181

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CP(=O)(CC(CC2=CN=CC=C2)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CP(=O)(CC(CC2=CN=CC=C2)C(=O)O)O

InChI

InChI=1S/C16H18NO4P/c18-16(19)15(9-14-7-4-8-17-10-14)12-22(20,21)11-13-5-2-1-3-6-13/h1-8,10,15H,9,11-12H2,(H,18,19)(H,20,21)