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

Systemtic Name: sodium 4-[2-oxidanyl-4-[(2S)-1-(3-oxidanyl-2-propan-2-yl-pyridin-4-yl)propan-2-yl]phenyl]-1,2-oxazol-3-one Openeye Name: sodium 4-[2-hydroxy-4-[(1S)-2-(3-hydroxy-2-isopropyl-4-pyridyl)-1-methyl-ethyl]phenyl]isoxazol-3-one CAS Name: sodium 4-[2-hydroxy-4-[(2S)-1-(3-hydroxy-2-propan-2-yl-4-pyridinyl)propan-2-yl]phenyl]-3-isoxazolone IUPAC Name: sodium 4-[2-hydroxy-4-[(2S)-1-(3-hydroxy-2-propan-2-ylpyridin-4-yl)propan-2-yl]phenyl]-1,2-oxazol-3-one Traditional Name: sodium 4-[2-hydroxy-4-[(1S)-2-(3-hydroxy-2-isopropyl-4-pyridyl)-1-methyl-ethyl]phenyl]-4-isoxazolin-3-one Formula: C20H22N2NaO4+ MolecularWeight: 377.38945

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC=CC(=C1O)CC(C)C2=CC(=C(C=C2)C3=CONC3=O)O.[Na+]

Isomeric SMILES

C[C@@H](CC1=C(C(=NC=C1)C(C)C)O)C2=CC(=C(C=C2)C3=CONC3=O)O.[Na+]

InChI

InChI=1S/C20H22N2O4.Na/c1-11(2)18-19(24)14(6-7-21-18)8-12(3)13-4-5-15(17(23)9-13)16-10-26-22-20(16)25;/h4-7,9-12,23-24H,8H2,1-3H3,(H,22,25);/q;+1/t12-;/m0./s1