8-[4-(pyridin-3-ylmethyl)phenyl]octanoic acid

Systemtic Name: 8-[4-(pyridin-3-ylmethyl)phenyl]octanoic acid Openeye Name: 8-[4-(3-pyridylmethyl)phenyl]octanoic acid CAS Name: 8-[4-(3-pyridinylmethyl)phenyl]octanoic acid IUPAC Name: 8-[4-(pyridin-3-ylmethyl)phenyl]octanoic acid Traditional Name: 8-[4-(3-pyridylmethyl)phenyl]caprylic acid Formula: C20H25NO2 MolecularWeight: 311.418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO2/c22-20(23)9-5-3-1-2-4-7-17-10-12-18(13-11-17)15-19-8-6-14-21-16-19/h6,8,10-14,16H,1-5,7,9,15H2,(H,22,23)