2-phenylbutanoic acid; pyridin-2-ylmethanol; hydrochloride

Systemtic Name: 2-phenylbutanoic acid; pyridin-2-ylmethanol; hydrochloride Openeye Name: 2-phenylbutanoic acid; 2-pyridylmethanol; hydrochloride CAS Name: 2-phenylbutanoic acid; 2-pyridinylmethanol; hydrochloride IUPAC Name: 2-phenylbutanoic acid; pyridin-2-ylmethanol; hydrochloride Traditional Name: 2-phenylbutyric acid; 2-pyridylmethanol; hydrochloride Formula: C16H20ClNO3 MolecularWeight: 309.7879

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)O.C1=CC=NC(=C1)CO.Cl

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)O.C1=CC=NC(=C1)CO.Cl

InChI

InChI=1S/C10H12O2.C6H7NO.ClH/c1-2-9(10(11)12)8-6-4-3-5-7-8;8-5-6-3-1-2-4-7-6;/h3-7,9H,2H2,1H3,(H,11,12);1-4,8H,5H2;1H