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

Systemtic Name: 3-[4-(pyridin-3-ylmethyl)phenyl]pentanoic acid Openeye Name: 3-[4-(3-pyridylmethyl)phenyl]pentanoic acid CAS Name: 3-[4-(3-pyridinylmethyl)phenyl]pentanoic acid IUPAC Name: 3-[4-(pyridin-3-ylmethyl)phenyl]pentanoic acid Traditional Name: 3-[4-(3-pyridylmethyl)phenyl]valeric acid Formula: C17H19NO2 MolecularWeight: 269.33826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO2/c1-2-15(11-17(19)20)16-7-5-13(6-8-16)10-14-4-3-9-18-12-14/h3-9,12,15H,2,10-11H2,1H3,(H,19,20)