[(2S)-1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] 1-aminocarbonylpiperidine-4-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] 1-aminocarbonylpiperidine-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 1-carbamoylpiperidine-4-carboxylate CAS Name: 1-carbamoyl-4-piperidinecarboxylic acid [(2S)-1-oxo-1-[4-(1-piperidinyl)anilino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 1-carbamoylpiperidine-4-carboxylate Traditional Name: 1-carbamoylisonipecotic acid [(1S)-2-keto-1-methyl-2-(4-piperidinoanilino)ethyl] ester Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C3CCN(CC3)C(=O)N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C3CCN(CC3)C(=O)N

InChI

InChI=1S/C21H30N4O4/c1-15(29-20(27)16-9-13-25(14-10-16)21(22)28)19(26)23-17-5-7-18(8-6-17)24-11-3-2-4-12-24/h5-8,15-16H,2-4,9-14H2,1H3,(H2,22,28)(H,23,26)/t15-/m0/s1