dimethyl 1-[2-(1-adamantyl)ethyl]-4-(6-bromanyl-1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 1-[2-(1-adamantyl)ethyl]-4-(6-bromanyl-1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-[2-(1-adamantyl)ethyl]-4-(6-bromo-1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-[2-(1-adamantyl)ethyl]-4-(6-bromo-1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[2-(1-adamantyl)ethyl]-4-(6-bromo-1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-[2-(1-adamantyl)ethyl]-4-(6-bromo-1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C28H32BrNO6 MolecularWeight: 558.46078

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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)CCC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2Br)OCO3)C(=O)OC)CCC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H32BrNO6/c1-33-26(31)20-13-30(4-3-28-10-16-5-17(11-28)7-18(6-16)12-28)14-21(27(32)34-2)25(20)19-8-23-24(9-22(19)29)36-15-35-23/h8-9,13-14,16-18,25H,3-7,10-12,15H2,1-2H3