5-[3-(tert-butylamino)-2-oxidanyl-propoxy]-7-methoxy-3-methyl-3,4-dihydroisochromen-1-one hydrochloride

Systemtic Name: 5-[3-(tert-butylamino)-2-oxidanyl-propoxy]-7-methoxy-3-methyl-3,4-dihydroisochromen-1-one hydrochloride Openeye Name: 5-[3-(tert-butylamino)-2-hydroxy-propoxy]-7-methoxy-3-methyl-isochroman-1-one hydrochloride CAS Name: 5-[3-(tert-butylamino)-2-hydroxypropoxy]-7-methoxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one hydrochloride IUPAC Name: 5-[3-(tert-butylamino)-2-hydroxypropoxy]-7-methoxy-3-methyl-3,4-dihydroisochromen-1-one hydrochloride Traditional Name: 5-[3-(tert-butylamino)-2-hydroxy-propoxy]-7-methoxy-3-methyl-isochroman-1-one hydrochloride Formula: C18H28ClNO5 MolecularWeight: 373.87162

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=C(C=C2C(=O)O1)OC)OCC(CNC(C)(C)C)O.Cl

Isomeric SMILES

CC1CC2=C(C=C(C=C2C(=O)O1)OC)OCC(CNC(C)(C)C)O.Cl

InChI

InChI=1S/C18H27NO5.ClH/c1-11-6-14-15(17(21)24-11)7-13(22-5)8-16(14)23-10-12(20)9-19-18(2,3)4;/h7-8,11-12,19-20H,6,9-10H2,1-5H3;1H