3-[4-(4-octoxyphenyl)pyridin-2-yl]propanoic acid

Systemtic Name: 3-[4-(4-octoxyphenyl)pyridin-2-yl]propanoic acid Openeye Name: 3-[4-(4-octoxyphenyl)-2-pyridyl]propanoic acid CAS Name: 3-[4-(4-octoxyphenyl)-2-pyridinyl]propanoic acid IUPAC Name: 3-[4-(4-octoxyphenyl)pyridin-2-yl]propanoic acid Traditional Name: 3-[4-(4-octoxyphenyl)-2-pyridyl]propionic acid Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC(=NC=C2)CCC(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC(=NC=C2)CCC(=O)O

InChI

InChI=1S/C22H29NO3/c1-2-3-4-5-6-7-16-26-21-11-8-18(9-12-21)19-14-15-23-20(17-19)10-13-22(24)25/h8-9,11-12,14-15,17H,2-7,10,13,16H2,1H3,(H,24,25)