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

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H31FN2O4 MolecularWeight: 418.501643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)OC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H31FN2O4/c1-16(21(27)25-20-6-4-2-3-5-7-20)30-23(29)18-12-14-26(15-13-18)22(28)17-8-10-19(24)11-9-17/h8-11,16,18,20H,2-7,12-15H2,1H3,(H,25,27)/t16-/m1/s1