[2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate Openeye Name: [2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxo-ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [2-[1-adamantyl-(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C25H26ClFN2O3 MolecularWeight: 456.936943

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=C(C=C4)F)C(=O)COC(=O)C5=C(N=CC=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=C(C=C4)F)C(=O)COC(=O)C5=C(N=CC=C5)Cl

InChI

InChI=1S/C25H26ClFN2O3/c26-23-21(2-1-7-28-23)24(31)32-15-22(30)29(14-16-3-5-20(27)6-4-16)25-11-17-8-18(12-25)10-19(9-17)13-25/h1-7,17-19H,8-15H2