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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN2O4/c1-12-5-3-4-10-21(12)16(22)11-25-18(24)13(2)20-17(23)14-6-8-15(19)9-7-14/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,20,23)/t12-,13-/m0/s1