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

Systemtic Name: dimethyl 1-(1-adamantylmethyl)-4-(1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-(1-adamantylmethyl)-4-(1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-(1-adamantylmethyl)-4-(1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(1-adamantylmethyl)-4-(1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-(1-adamantylmethyl)-4-(1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C27H31NO6 MolecularWeight: 465.53814

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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)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2)OCO3)C(=O)OC)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H31NO6/c1-31-25(29)20-12-28(14-27-9-16-5-17(10-27)7-18(6-16)11-27)13-21(26(30)32-2)24(20)19-3-4-22-23(8-19)34-15-33-22/h3-4,8,12-13,16-18,24H,5-7,9-11,14-15H2,1-2H3