pyridin-2-ylmethyl 2-oxidanyl-2-phenyl-ethanoate ethanoate hydrochloride

Systemtic Name: pyridin-2-ylmethyl 2-oxidanyl-2-phenyl-ethanoate ethanoate hydrochloride Openeye Name: 2-pyridylmethyl 2-hydroxy-2-phenyl-acetate acetate hydrochloride CAS Name: 2-hydroxy-2-phenylacetic acid 2-pyridinylmethyl ester acetate hydrochloride IUPAC Name: pyridin-2-ylmethyl 2-hydroxy-2-phenylacetate acetate hydrochloride Traditional Name: 2-hydroxy-2-phenyl-acetic acid 2-pyridylmethyl ester acetate hydrochloride Formula: C16H17ClNO5- MolecularWeight: 338.76288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC=C(C=C1)C(C(=O)OCC2=CC=CC=N2)O.Cl

Isomeric SMILES

CC(=O)[O-].C1=CC=C(C=C1)C(C(=O)OCC2=CC=CC=N2)O.Cl

InChI

InChI=1S/C14H13NO3.C2H4O2.ClH/c16-13(11-6-2-1-3-7-11)14(17)18-10-12-8-4-5-9-15-12;1-2(3)4;/h1-9,13,16H,10H2;1H3,(H,3,4);1H/p-1