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

Systemtic Name: dimethyl 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-2-methyl-4-(3-oxidanylpropyl)-2H-azocine-6,7-dicarboxylate Openeye Name: dimethyl 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-(3-hydroxypropyl)-2-methyl-2H-azocine-6,7-dicarboxylate CAS Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-(3-hydroxypropyl)-2-methyl-2H-azocine-6,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-(3-hydroxypropyl)-2-methyl-2H-azocine-6,7-dicarboxylate Traditional Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-(3-hydroxypropyl)-2-methyl-2H-azocine-6,7-dicarboxylic acid dimethyl ester Formula: C23H26BrNO7 MolecularWeight: 508.35904

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C=C(C(=CN1CC2=CC3=C(C=C2Br)OCO3)C(=O)OC)C(=O)OC)CCCO

Isomeric SMILES

CC1C=C(C=C(C(=CN1CC2=CC3=C(C=C2Br)OCO3)C(=O)OC)C(=O)OC)CCCO

InChI

InChI=1S/C23H26BrNO7/c1-14-7-15(5-4-6-26)8-17(22(27)29-2)18(23(28)30-3)12-25(14)11-16-9-20-21(10-19(16)24)32-13-31-20/h7-10,12,14,26H,4-6,11,13H2,1-3H3