1-[1-[1,3-benzodioxol-5-yl(oxidanyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-propan-1-one

Systemtic Name: 1-[1-[1,3-benzodioxol-5-yl(oxidanyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-propan-1-one Openeye Name: 1-[1-[1,3-benzodioxol-5-yl(hydroxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-propan-1-one CAS Name: 1-[1-[1,3-benzodioxol-5-yl(hydroxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[1-[1,3-benzodioxol-5-yl(hydroxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[1-[1,3-benzodioxol-5-yl(hydroxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-propan-1-one Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCC2=CC=CC=C2C1C(C3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC(C)(C)C(=O)N1CCC2=CC=CC=C2C1C(C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C22H25NO4/c1-22(2,3)21(25)23-11-10-14-6-4-5-7-16(14)19(23)20(24)15-8-9-17-18(12-15)27-13-26-17/h4-9,12,19-20,24H,10-11,13H2,1-3H3