5-[2-oxidanyl-4-[1-(3-oxidanyl-2-propan-2-yl-pyridin-4-yl)propan-2-yl]phenyl]-1,2-oxazol-3-one hydrochloride

Systemtic Name: 5-[2-oxidanyl-4-[1-(3-oxidanyl-2-propan-2-yl-pyridin-4-yl)propan-2-yl]phenyl]-1,2-oxazol-3-one hydrochloride Openeye Name: 5-[2-hydroxy-4-[2-(3-hydroxy-2-isopropyl-4-pyridyl)-1-methyl-ethyl]phenyl]isoxazol-3-one hydrochloride CAS Name: 5-[2-hydroxy-4-[1-(3-hydroxy-2-propan-2-yl-4-pyridinyl)propan-2-yl]phenyl]-3-isoxazolone hydrochloride IUPAC Name: 5-[2-hydroxy-4-[1-(3-hydroxy-2-propan-2-ylpyridin-4-yl)propan-2-yl]phenyl]-1,2-oxazol-3-one hydrochloride Traditional Name: 5-[2-hydroxy-4-[2-(3-hydroxy-2-isopropyl-4-pyridyl)-1-methyl-ethyl]phenyl]-4-isoxazolin-3-one hydrochloride Formula: C20H23ClN2O4 MolecularWeight: 390.86062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC=CC(=C1O)CC(C)C2=CC(=C(C=C2)C3=CC(=O)NO3)O.Cl

Isomeric SMILES

CC(C)C1=NC=CC(=C1O)CC(C)C2=CC(=C(C=C2)C3=CC(=O)NO3)O.Cl

InChI

InChI=1S/C20H22N2O4.ClH/c1-11(2)19-20(25)14(6-7-21-19)8-12(3)13-4-5-15(16(23)9-13)17-10-18(24)22-26-17;/h4-7,9-12,23,25H,8H2,1-3H3,(H,22,24);1H