[(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [(1R)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid [(1R)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H27ClN2O4 MolecularWeight: 394.89238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN2O4/c1-13(17(24)22-20(2,3)4)27-19(26)15-9-11-23(12-10-15)18(25)14-5-7-16(21)8-6-14/h5-8,13,15H,9-12H2,1-4H3,(H,22,24)/t13-/m1/s1