dimethyl 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-2-ethenyl-4-(3-oxidanylpropyl)-2H-azocine-6,7-dicarboxylate

Systemtic Name: dimethyl 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-2-ethenyl-4-(3-oxidanylpropyl)-2H-azocine-6,7-dicarboxylate Openeye Name: dimethyl 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-(3-hydroxypropyl)-2-vinyl-2H-azocine-6,7-dicarboxylate CAS Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethenyl-4-(3-hydroxypropyl)-2H-azocine-6,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethenyl-4-(3-hydroxypropyl)-2H-azocine-6,7-dicarboxylate Traditional Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-(3-hydroxypropyl)-2-vinyl-2H-azocine-6,7-dicarboxylic acid dimethyl ester Formula: C24H26BrNO7 MolecularWeight: 520.36974

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(N(C=C1C(=O)OC)CC2=CC3=C(C=C2Br)OCO3)C=C)CCCO

Isomeric SMILES

COC(=O)C1=CC(=CC(N(C=C1C(=O)OC)CC2=CC3=C(C=C2Br)OCO3)C=C)CCCO

InChI

InChI=1S/C24H26BrNO7/c1-4-17-8-15(6-5-7-27)9-18(23(28)30-2)19(24(29)31-3)13-26(17)12-16-10-21-22(11-20(16)25)33-14-32-21/h4,8-11,13,17,27H,1,5-7,12,14H2,2-3H3