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

Systemtic Name: dimethyl 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-9-methoxy-8-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: dimethyl 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-8-hydroxy-9-methoxy-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-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-cyclopropyl-8-hydroxy-9-methoxy-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-cyclopropyl-8-hydroxy-9-methoxy-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester Formula: C27H26BrNO8 MolecularWeight: 572.40124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=C(C(=CN(C(C2=C1)C3CC3)CC4=CC5=C(C=C4Br)OCO5)C(=O)OC)C(=O)OC)O

Isomeric SMILES

COC1=C(C=C2C=C(C(=CN(C(C2=C1)C3CC3)CC4=CC5=C(C=C4Br)OCO5)C(=O)OC)C(=O)OC)O

InChI

InChI=1S/C27H26BrNO8/c1-33-22-9-17-15(7-21(22)30)6-18(26(31)34-2)19(27(32)35-3)12-29(25(17)14-4-5-14)11-16-8-23-24(10-20(16)28)37-13-36-23/h6-10,12,14,25,30H,4-5,11,13H2,1-3H3