dimethyl 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-9-methoxy-1-methyl-8-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-9-methoxy-1-methyl-8-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: dimethyl 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-8-hydroxy-9-methoxy-1-methyl-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-8-hydroxy-9-methoxy-1-methyl-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-8-hydroxy-9-methoxy-1-methyl-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-8-hydroxy-9-methoxy-1-methyl-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester Formula: C25H24BrNO8 MolecularWeight: 546.36396

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2C=C(C(=CN1CC3=CC4=C(C=C3Br)OCO4)C(=O)OC)C(=O)OC)O)OC

Isomeric SMILES

CC1C2=CC(=C(C=C2C=C(C(=CN1CC3=CC4=C(C=C3Br)OCO4)C(=O)OC)C(=O)OC)O)OC

InChI

InChI=1S/C25H24BrNO8/c1-13-16-8-21(31-2)20(28)6-14(16)5-17(24(29)32-3)18(25(30)33-4)11-27(13)10-15-7-22-23(9-19(15)26)35-12-34-22/h5-9,11,13,28H,10,12H2,1-4H3