7-[3-(tert-butylamino)-2-oxidanyl-propoxy]-1,4-dimethyl-indole-2,3-dione hydrochloride

Systemtic Name: 7-[3-(tert-butylamino)-2-oxidanyl-propoxy]-1,4-dimethyl-indole-2,3-dione hydrochloride Openeye Name: 7-[3-(tert-butylamino)-2-hydroxy-propoxy]-1,4-dimethyl-indoline-2,3-dione hydrochloride CAS Name: 7-[3-(tert-butylamino)-2-hydroxypropoxy]-1,4-dimethylindole-2,3-dione hydrochloride IUPAC Name: 7-[3-(tert-butylamino)-2-hydroxypropoxy]-1,4-dimethylindole-2,3-dione hydrochloride Traditional Name: 7-[3-(tert-butylamino)-2-hydroxy-propoxy]-1,4-dimethyl-isatin hydrochloride Formula: C17H25ClN2O4 MolecularWeight: 356.8444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OCC(CNC(C)(C)C)O)N(C(=O)C2=O)C.Cl

Isomeric SMILES

CC1=C2C(=C(C=C1)OCC(CNC(C)(C)C)O)N(C(=O)C2=O)C.Cl

InChI

InChI=1S/C17H24N2O4.ClH/c1-10-6-7-12(14-13(10)15(21)16(22)19(14)5)23-9-11(20)8-18-17(2,3)4;/h6-7,11,18,20H,8-9H2,1-5H3;1H