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

Systemtic Name: 3-[oxidanyl-(phenylmethyl)phosphoryl]-2-pyridin-3-yl-nonanoic acid Openeye Name: 3-[benzyl(hydroxy)phosphoryl]-2-(3-pyridyl)nonanoic acid CAS Name: 3-[hydroxy-(phenylmethyl)phosphoryl]-2-(3-pyridinyl)nonanoic acid IUPAC Name: 3-[benzyl(hydroxy)phosphoryl]-2-pyridin-3-ylnonanoic acid Traditional Name: 3-[benzyl(hydroxy)phosphoryl]-2-(3-pyridyl)pelargonic acid Formula: C21H28NO4P MolecularWeight: 389.425081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C1=CN=CC=C1)C(=O)O)P(=O)(CC2=CC=CC=C2)O

Isomeric SMILES

CCCCCCC(C(C1=CN=CC=C1)C(=O)O)P(=O)(CC2=CC=CC=C2)O

InChI

InChI=1S/C21H28NO4P/c1-2-3-4-8-13-19(20(21(23)24)18-12-9-14-22-15-18)27(25,26)16-17-10-6-5-7-11-17/h5-7,9-12,14-15,19-20H,2-4,8,13,16H2,1H3,(H,23,24)(H,25,26)