dimethyl 1-(1-adamantyl)-4-[4-(trifluoromethyloxy)phenyl]-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 1-(1-adamantyl)-4-[4-(trifluoromethyloxy)phenyl]-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-(1-adamantyl)-4-[4-(trifluoromethoxy)phenyl]-4H-pyridine-3,5-dicarboxylate CAS Name: 1-(1-adamantyl)-4-[4-(trifluoromethoxy)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(1-adamantyl)-4-[4-(trifluoromethoxy)phenyl]-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-(1-adamantyl)-4-[4-(trifluoromethoxy)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C26H28F3NO5 MolecularWeight: 491.49943

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=C(C1C2=CC=C(C=C2)OC(F)(F)F)C(=O)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC=C(C=C2)OC(F)(F)F)C(=O)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H28F3NO5/c1-33-23(31)20-13-30(25-10-15-7-16(11-25)9-17(8-15)12-25)14-21(24(32)34-2)22(20)18-3-5-19(6-4-18)35-26(27,28)29/h3-6,13-17,22H,7-12H2,1-2H3