dimethyl 1-(1-adamantyl)-4-(1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 1-(1-adamantyl)-4-(1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-(1-adamantyl)-4-(1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-(1-adamantyl)-4-(1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(1-adamantyl)-4-(1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-(1-adamantyl)-4-(1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C26H29NO6 MolecularWeight: 451.51156

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2)OCO3)C(=O)OC)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2)OCO3)C(=O)OC)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H29NO6/c1-30-24(28)19-12-27(26-9-15-5-16(10-26)7-17(6-15)11-26)13-20(25(29)31-2)23(19)18-3-4-21-22(8-18)33-14-32-21/h3-4,8,12-13,15-17,23H,5-7,9-11,14H2,1-2H3