[(2S)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [(2S)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [(1S)-2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid [(1S)-2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H24ClN3O5 MolecularWeight: 457.90676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H24ClN3O5/c1-14(21(29)26-19-8-4-15(5-9-19)20(25)28)32-23(31)17-10-12-27(13-11-17)22(30)16-2-6-18(24)7-3-16/h2-9,14,17H,10-13H2,1H3,(H2,25,28)(H,26,29)/t14-/m0/s1