[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C25H31FN2O4 MolecularWeight: 442.523043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H31FN2O4/c26-21-3-1-19(2-4-21)23(30)28-7-5-20(6-8-28)24(31)32-15-22(29)27-25-12-16-9-17(13-25)11-18(10-16)14-25/h1-4,16-18,20H,5-15H2,(H,27,29)