dimethyl 1-[2-(1-adamantyl)ethyl]-4-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 1-[2-(1-adamantyl)ethyl]-4-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-[2-(1-adamantyl)ethyl]-4-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-[2-(1-adamantyl)ethyl]-4-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[2-(1-adamantyl)ethyl]-4-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-[2-(1-adamantyl)ethyl]-4-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C27H32FNO4 MolecularWeight: 453.545683

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=C(C1C2=CC=C(C=C2)F)C(=O)OC)CCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC=C(C=C2)F)C(=O)OC)CCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H32FNO4/c1-32-25(30)22-15-29(8-7-27-12-17-9-18(13-27)11-19(10-17)14-27)16-23(26(31)33-2)24(22)20-3-5-21(28)6-4-20/h3-6,15-19,24H,7-14H2,1-2H3