7-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3,4-dihydroisochromen-1-one hydrochloride

Systemtic Name: 7-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3,4-dihydroisochromen-1-one hydrochloride Openeye Name: 7-[3-(tert-butylamino)-2-hydroxy-propoxy]isochroman-1-one hydrochloride CAS Name: 7-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-2-benzopyran-1-one hydrochloride IUPAC Name: 7-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydroisochromen-1-one hydrochloride Traditional Name: 7-[3-(tert-butylamino)-2-hydroxy-propoxy]isochroman-1-one hydrochloride Formula: C16H24ClNO4 MolecularWeight: 329.81906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC2=C(CCOC2=O)C=C1)O.Cl

Isomeric SMILES

CC(C)(C)NCC(COC1=CC2=C(CCOC2=O)C=C1)O.Cl

InChI

InChI=1S/C16H23NO4.ClH/c1-16(2,3)17-9-12(18)10-21-13-5-4-11-6-7-20-15(19)14(11)8-13;/h4-5,8,12,17-18H,6-7,9-10H2,1-3H3;1H