[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: (1-allophanoyl-2-methyl-propyl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C19H24FN3O5 MolecularWeight: 393.409363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24FN3O5/c1-11(2)15(16(24)22-19(21)27)28-18(26)13-7-9-23(10-8-13)17(25)12-3-5-14(20)6-4-12/h3-6,11,13,15H,7-10H2,1-2H3,(H3,21,22,24,27)