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

Systemtic Name: dimethyl 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-ethenyl-9-methoxy-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-vinyl-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-ethenyl-8-hydroxy-9-methoxy-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-ethenyl-8-hydroxy-9-methoxy-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-8-hydroxy-9-methoxy-1-vinyl-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester Formula: C26H24BrNO8 MolecularWeight: 558.37466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=C(C(=CN(C(C2=C1)C=C)CC3=CC4=C(C=C3Br)OCO4)C(=O)OC)C(=O)OC)O

Isomeric SMILES

COC1=C(C=C2C=C(C(=CN(C(C2=C1)C=C)CC3=CC4=C(C=C3Br)OCO4)C(=O)OC)C(=O)OC)O

InChI

InChI=1S/C26H24BrNO8/c1-5-20-16-9-22(32-2)21(29)7-14(16)6-17(25(30)33-3)18(26(31)34-4)12-28(20)11-15-8-23-24(10-19(15)27)36-13-35-23/h5-10,12,20,29H,1,11,13H2,2-4H3