dimethyl 1-(1-adamantylmethyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 1-(1-adamantylmethyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-(1-adamantylmethyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate CAS Name: 1-(1-adamantylmethyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(1-adamantylmethyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-(1-adamantylmethyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C27H30F3NO4 MolecularWeight: 489.52661

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=C(C1C2=CC=C(C=C2)C(F)(F)F)C(=O)OC)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC=C(C=C2)C(F)(F)F)C(=O)OC)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H30F3NO4/c1-34-24(32)21-13-31(15-26-10-16-7-17(11-26)9-18(8-16)12-26)14-22(25(33)35-2)23(21)19-3-5-20(6-4-19)27(28,29)30/h3-6,13-14,16-18,23H,7-12,15H2,1-2H3