[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C20H26ClN3O5 MolecularWeight: 423.89054

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN3O5/c1-3-13(2)22-20(28)23-17(25)12-29-19(27)15-8-10-24(11-9-15)18(26)14-4-6-16(21)7-5-14/h4-7,13,15H,3,8-12H2,1-2H3,(H2,22,23,25,28)/t13-/m0/s1