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

Systemtic Name: dimethyl 1-(1-adamantylmethyl)-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-(1-adamantylmethyl)-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-(1-adamantylmethyl)-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(1-adamantylmethyl)-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-(1-adamantylmethyl)-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C26H30FNO4 MolecularWeight: 439.519103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30FNO4/c1-31-24(29)21-13-28(15-26-10-16-6-17(11-26)8-18(7-16)12-26)14-22(25(30)32-2)23(21)19-4-3-5-20(27)9-19/h3-5,9,13-14,16-18,23H,6-8,10-12,15H2,1-2H3