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

Systemtic Name: dimethyl 1-[2-(1-adamantyloxy)ethyl]-4-(1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-[2-(1-adamantyloxy)ethyl]-4-(1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-[2-(1-adamantyloxy)ethyl]-4-(1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[2-(1-adamantyloxy)ethyl]-4-(1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-[2-(1-adamantyloxy)ethyl]-4-(1,3-benzodioxol-5-yl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C28H33NO7 MolecularWeight: 495.56412

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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)CCOC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2)OCO3)C(=O)OC)CCOC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H33NO7/c1-32-26(30)21-14-29(5-6-36-28-11-17-7-18(12-28)9-19(8-17)13-28)15-22(27(31)33-2)25(21)20-3-4-23-24(10-20)35-16-34-23/h3-4,10,14-15,17-19,25H,5-9,11-13,16H2,1-2H3