6,7-dimethoxy-3,3-dimethyl-2-(2-oxidanyl-3-phenoxy-propyl)-1H-isoquinolin-4-one hydrochloride

Systemtic Name: 6,7-dimethoxy-3,3-dimethyl-2-(2-oxidanyl-3-phenoxy-propyl)-1H-isoquinolin-4-one hydrochloride Openeye Name: 2-(2-hydroxy-3-phenoxy-propyl)-6,7-dimethoxy-3,3-dimethyl-1H-isoquinolin-4-one hydrochloride CAS Name: 2-(2-hydroxy-3-phenoxypropyl)-6,7-dimethoxy-3,3-dimethyl-1H-isoquinolin-4-one hydrochloride IUPAC Name: 2-(2-hydroxy-3-phenoxypropyl)-6,7-dimethoxy-3,3-dimethyl-1H-isoquinolin-4-one hydrochloride Traditional Name: 2-(2-hydroxy-3-phenoxy-propyl)-6,7-dimethoxy-3,3-dimethyl-1H-isoquinolin-4-one hydrochloride Formula: C22H28ClNO5 MolecularWeight: 421.91442

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C2=CC(=C(C=C2CN1CC(COC3=CC=CC=C3)O)OC)OC)C.Cl

Isomeric SMILES

CC1(C(=O)C2=CC(=C(C=C2CN1CC(COC3=CC=CC=C3)O)OC)OC)C.Cl

InChI

InChI=1S/C22H27NO5.ClH/c1-22(2)21(25)18-11-20(27-4)19(26-3)10-15(18)12-23(22)13-16(24)14-28-17-8-6-5-7-9-17;/h5-11,16,24H,12-14H2,1-4H3;1H