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

Systemtic Name: 3-[oxidanyl-(phenylmethyl)phosphoryl]-2-pyridin-2-yl-octanoic acid Openeye Name: 3-[benzyl(hydroxy)phosphoryl]-2-(2-pyridyl)octanoic acid CAS Name: 3-[hydroxy-(phenylmethyl)phosphoryl]-2-(2-pyridinyl)octanoic acid IUPAC Name: 3-[benzyl(hydroxy)phosphoryl]-2-pyridin-2-yloctanoic acid Traditional Name: 3-[benzyl(hydroxy)phosphoryl]-2-(2-pyridyl)caprylic acid Formula: C20H26NO4P MolecularWeight: 375.398501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C1=CC=CC=N1)C(=O)O)P(=O)(CC2=CC=CC=C2)O

Isomeric SMILES

CCCCCC(C(C1=CC=CC=N1)C(=O)O)P(=O)(CC2=CC=CC=C2)O

InChI

InChI=1S/C20H26NO4P/c1-2-3-5-13-18(19(20(22)23)17-12-8-9-14-21-17)26(24,25)15-16-10-6-4-7-11-16/h4,6-12,14,18-19H,2-3,5,13,15H2,1H3,(H,22,23)(H,24,25)