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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C(C)NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)COC(=O)[C@H](C)NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H23BrN2O4/c1-12-4-3-9-21(10-12)16(22)11-25-18(24)13(2)20-17(23)14-5-7-15(19)8-6-14/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,20,23)/t12-,13-/m0/s1