3-[4-(pyridin-3-ylmethyl)phenyl]butanoic acid

Systemtic Name: 3-[4-(pyridin-3-ylmethyl)phenyl]butanoic acid Openeye Name: 3-[4-(3-pyridylmethyl)phenyl]butanoic acid CAS Name: 3-[4-(3-pyridinylmethyl)phenyl]butanoic acid IUPAC Name: 3-[4-(pyridin-3-ylmethyl)phenyl]butanoic acid Traditional Name: 3-[4-(3-pyridylmethyl)phenyl]butyric acid Formula: C16H17NO2 MolecularWeight: 255.31168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO2/c1-12(9-16(18)19)15-6-4-13(5-7-15)10-14-3-2-8-17-11-14/h2-8,11-12H,9-10H2,1H3,(H,18,19)