2-[4-[oxidanyl-(3-oxidanylpyridin-4-yl)methyl]phenyl]ethyl benzoate hydrochloride

Systemtic Name: 2-[4-[oxidanyl-(3-oxidanylpyridin-4-yl)methyl]phenyl]ethyl benzoate hydrochloride Openeye Name: 2-[4-[hydroxy-(3-hydroxy-4-pyridyl)methyl]phenyl]ethyl benzoate hydrochloride CAS Name: benzoic acid 2-[4-[hydroxy-(3-hydroxy-4-pyridinyl)methyl]phenyl]ethyl ester hydrochloride IUPAC Name: 2-[4-[hydroxy-(3-hydroxypyridin-4-yl)methyl]phenyl]ethyl benzoate hydrochloride Traditional Name: benzoic acid 2-[4-[hydroxy-(3-hydroxy-4-pyridyl)methyl]phenyl]ethyl ester hydrochloride Formula: C21H20ClNO4 MolecularWeight: 385.8408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCC2=CC=C(C=C2)C(C3=C(C=NC=C3)O)O.Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCC2=CC=C(C=C2)C(C3=C(C=NC=C3)O)O.Cl

InChI

InChI=1S/C21H19NO4.ClH/c23-19-14-22-12-10-18(19)20(24)16-8-6-15(7-9-16)11-13-26-21(25)17-4-2-1-3-5-17;/h1-10,12,14,20,23-24H,11,13H2;1H