[(2S)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [(2S)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: [(1S)-2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid [(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid [(1S)-2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H24BrN3O4 MolecularWeight: 474.34766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)Br)OC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H24BrN3O4/c1-15(20(27)24-19-9-7-17(23)8-10-19)30-21(28)16-11-13-26(14-12-16)22(29)25-18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3,(H,24,27)(H,25,29)/t15-/m0/s1