2-cyclohexyl-2-phenyl-ethanoic acid; pyridin-2-ylmethanol; hydrochloride

Systemtic Name: 2-cyclohexyl-2-phenyl-ethanoic acid; pyridin-2-ylmethanol; hydrochloride Openeye Name: 2-cyclohexyl-2-phenyl-acetic acid; 2-pyridylmethanol; hydrochloride CAS Name: 2-cyclohexyl-2-phenylacetic acid; 2-pyridinylmethanol; hydrochloride IUPAC Name: 2-cyclohexyl-2-phenylacetic acid; pyridin-2-ylmethanol; hydrochloride Traditional Name: 2-cyclohexyl-2-phenyl-acetic acid; 2-pyridylmethanol; hydrochloride Formula: C20H26ClNO3 MolecularWeight: 363.87834

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=CC=C2)C(=O)O.C1=CC=NC(=C1)CO.Cl

Isomeric SMILES

C1CCC(CC1)C(C2=CC=CC=C2)C(=O)O.C1=CC=NC(=C1)CO.Cl

InChI

InChI=1S/C14H18O2.C6H7NO.ClH/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;8-5-6-3-1-2-4-7-6;/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,15,16);1-4,8H,5H2;1H