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

Systemtic Name: 6,7-dimethoxy-3,3-dimethyl-2-(2-oxidanyl-3-phenoxy-propyl)-1H-isoquinolin-4-one Openeye Name: 2-(2-hydroxy-3-phenoxy-propyl)-6,7-dimethoxy-3,3-dimethyl-1H-isoquinolin-4-one CAS Name: 2-(2-hydroxy-3-phenoxypropyl)-6,7-dimethoxy-3,3-dimethyl-1H-isoquinolin-4-one IUPAC Name: 2-(2-hydroxy-3-phenoxypropyl)-6,7-dimethoxy-3,3-dimethyl-1H-isoquinolin-4-one Traditional Name: 2-(2-hydroxy-3-phenoxy-propyl)-6,7-dimethoxy-3,3-dimethyl-1H-isoquinolin-4-one Formula: C22H27NO5 MolecularWeight: 385.45348

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5/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