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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)amino]pyridine-3-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate CAS Name: 2-(2-fluoroanilino)-3-pyridinecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate Traditional Name: 2-(2-fluoroanilino)nicotinic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C24H26FN3O3 MolecularWeight: 423.479943

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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=C5F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=C(N=CC=C4)NC5=CC=CC=C5F

InChI

InChI=1S/C24H26FN3O3/c25-19-5-1-2-6-20(19)27-22-18(4-3-7-26-22)23(30)31-14-21(29)28-24-11-15-8-16(12-24)10-17(9-15)13-24/h1-7,15-17H,8-14H2,(H,26,27)(H,28,29)