dimethyl 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-methyl-9-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-methyl-9-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: dimethyl 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-9-hydroxy-1-methyl-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-9-hydroxy-1-methyl-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-9-hydroxy-1-methyl-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-9-hydroxy-1-methyl-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester Formula: C24H22BrNO7 MolecularWeight: 516.33798

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=CC(=C2)O)C=C(C(=CN1CC3=CC4=C(C=C3Br)OCO4)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1C2=C(C=CC(=C2)O)C=C(C(=CN1CC3=CC4=C(C=C3Br)OCO4)C(=O)OC)C(=O)OC

InChI

InChI=1S/C24H22BrNO7/c1-13-17-8-16(27)5-4-14(17)6-18(23(28)30-2)19(24(29)31-3)11-26(13)10-15-7-21-22(9-20(15)25)33-12-32-21/h4-9,11,13,27H,10,12H2,1-3H3