ethyl 1-[(4-bromanyl-1,3-benzodioxol-5-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl 1-[(4-bromanyl-1,3-benzodioxol-5-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl 1-[(4-bromo-1,3-benzodioxol-5-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[(4-bromo-1,3-benzodioxol-5-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-bromo-1,3-benzodioxol-5-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-[(4-bromo-1,3-benzodioxol-5-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C22H24BrNO6 MolecularWeight: 478.33306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=CC(=C(C=C2C1CC3=C(C4=C(C=C3)OCO4)Br)OC)OC

Isomeric SMILES

CCOC(=O)N1CCC2=CC(=C(C=C2C1CC3=C(C4=C(C=C3)OCO4)Br)OC)OC

InChI

InChI=1S/C22H24BrNO6/c1-4-28-22(25)24-8-7-13-10-18(26-2)19(27-3)11-15(13)16(24)9-14-5-6-17-21(20(14)23)30-12-29-17/h5-6,10-11,16H,4,7-9,12H2,1-3H3