dimethyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-1-cyclohexyl-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-1-cyclohexyl-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1-cyclohexyl-4H-pyridine-3,5-dicarboxylate CAS Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-1-cyclohexyl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1-cyclohexyl-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-1-cyclohexyl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C22H24BrNO6 MolecularWeight: 478.33306

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2Br)OCO3)C(=O)OC)C4CCCCC4

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2Br)OCO3)C(=O)OC)C4CCCCC4

InChI

InChI=1S/C22H24BrNO6/c1-27-21(25)15-10-24(13-6-4-3-5-7-13)11-16(22(26)28-2)20(15)14-8-18-19(9-17(14)23)30-12-29-18/h8-11,13,20H,3-7,12H2,1-2H3