[(2R)-1-oxidanylidene-1-(2-oxidanylideneimidazolidin-1-yl)propan-2-yl] (3S)-1-(4-chlorophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(2-oxidanylideneimidazolidin-1-yl)propan-2-yl] (3S)-1-(4-chlorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (3S)-1-(4-chlorobenzoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-3-piperidinecarboxylic acid [(2R)-1-oxo-1-(2-oxo-1-imidazolidinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (3S)-1-(4-chlorobenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(4-chlorobenzoyl)nipecotic acid [(1R)-2-keto-2-(2-ketoimidazolidin-1-yl)-1-methyl-ethyl] ester Formula: C19H22ClN3O5 MolecularWeight: 407.84808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCNC1=O)OC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H](C(=O)N1CCNC1=O)OC(=O)[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H22ClN3O5/c1-12(16(24)23-10-8-21-19(23)27)28-18(26)14-3-2-9-22(11-14)17(25)13-4-6-15(20)7-5-13/h4-7,12,14H,2-3,8-11H2,1H3,(H,21,27)/t12-,14+/m1/s1