O2-tert-butyl O1-methyl (1R)-6-[(6-bromanyl-1,3-benzodioxol-5-yl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate

Systemtic Name: O2-tert-butyl O1-methyl (1R)-6-[(6-bromanyl-1,3-benzodioxol-5-yl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate Openeye Name: O2-tert-butyl O1-methyl (1R)-6-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate CAS Name: (1R)-6-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylic acid O2-tert-butyl ester O1-methyl ester IUPAC Name: 2-O-tert-butyl 1-O-methyl (1R)-6-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate Traditional Name: (1R)-6-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylic acid O2-tert-butyl ester O1-methyl ester Formula: C24H26BrNO7 MolecularWeight: 520.36974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1C(=O)OC)C=CC(=C2)OCC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C([C@@H]1C(=O)OC)C=CC(=C2)OCC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C24H26BrNO7/c1-24(2,3)33-23(28)26-8-7-14-9-16(5-6-17(14)21(26)22(27)29-4)30-12-15-10-19-20(11-18(15)25)32-13-31-19/h5-6,9-11,21H,7-8,12-13H2,1-4H3/t21-/m1/s1