[1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylamino)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid [2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H29FN2O4 MolecularWeight: 404.475063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)NC1CCCCC1)OC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H29FN2O4/c1-15(20(26)24-19-5-3-2-4-6-19)29-22(28)17-11-13-25(14-12-17)21(27)16-7-9-18(23)10-8-16/h7-10,15,17,19H,2-6,11-14H2,1H3,(H,24,26)