4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3H-2-benzofuran-1-one hydrochloride

Systemtic Name: 4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3H-2-benzofuran-1-one hydrochloride Openeye Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3H-isobenzofuran-1-one hydrochloride CAS Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-3H-isobenzofuran-1-one hydrochloride IUPAC Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-3H-2-benzofuran-1-one hydrochloride Traditional Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]phthalide hydrochloride Formula: C15H22ClNO4 MolecularWeight: 315.79248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=CC2=C1COC2=O)O.Cl

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=CC2=C1COC2=O)O.Cl

InChI

InChI=1S/C15H21NO4.ClH/c1-15(2,3)16-7-10(17)8-19-13-6-4-5-11-12(13)9-20-14(11)18;/h4-6,10,16-17H,7-9H2,1-3H3;1H