[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate CAS Name: 2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate Traditional Name: 2-[3-(trifluoromethyl)anilino]nicotinic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C25H26F3N3O3 MolecularWeight: 473.48745

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=C(N=CC=C4)NC5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=C(N=CC=C4)NC5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C25H26F3N3O3/c26-25(27,28)18-3-1-4-19(10-18)30-22-20(5-2-6-29-22)23(33)34-14-21(32)31-24-11-15-7-16(12-24)9-17(8-15)13-24/h1-6,10,15-17H,7-9,11-14H2,(H,29,30)(H,31,32)