4-(1-pyridin-3-ylethyl)benzoic acid

Systemtic Name: 4-(1-pyridin-3-ylethyl)benzoic acid Openeye Name: 4-[1-(3-pyridyl)ethyl]benzoic acid CAS Name: 4-[1-(3-pyridinyl)ethyl]benzoic acid IUPAC Name: 4-(1-pyridin-3-ylethyl)benzoic acid Traditional Name: 4-[1-(3-pyridyl)ethyl]benzoic acid Formula: C14H13NO2 MolecularWeight: 227.25852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO2/c1-10(13-3-2-8-15-9-13)11-4-6-12(7-5-11)14(16)17/h2-10H,1H3,(H,16,17)