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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [(1S)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [(2S)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid [(1S)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H26FN3O5 MolecularWeight: 407.435943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)OC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)OC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C20H26FN3O5/c1-12(2)22-20(28)23-17(25)13(3)29-19(27)15-8-10-24(11-9-15)18(26)14-4-6-16(21)7-5-14/h4-7,12-13,15H,8-11H2,1-3H3,(H2,22,23,25,28)/t13-/m0/s1