[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-[(4-bromophenyl)carbonylamino]propanoate

Systemtic Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-[(4-bromophenyl)carbonylamino]propanoate Openeye Name: [2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl] 3-[(4-bromobenzoyl)amino]propanoate CAS Name: 3-[[(4-bromophenyl)-oxomethyl]amino]propanoic acid [2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 3-[(4-bromobenzoyl)amino]propanoate Traditional Name: 3-[(4-bromobenzoyl)amino]propionic acid [2-keto-2-[(2S)-2-methylpiperidino]ethyl] ester Formula: C18H23BrN2O4 MolecularWeight: 411.29022

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)COC(=O)CCNC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C[C@H]1CCCCN1C(=O)COC(=O)CCNC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H23BrN2O4/c1-13-4-2-3-11-21(13)16(22)12-25-17(23)9-10-20-18(24)14-5-7-15(19)8-6-14/h5-8,13H,2-4,9-12H2,1H3,(H,20,24)/t13-/m0/s1