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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)COC(=O)C(C)NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1CCN(CC1)C(=O)COC(=O)[C@H](C)NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H23BrN2O4/c1-12-7-9-21(10-8-12)16(22)11-25-18(24)13(2)20-17(23)14-3-5-15(19)6-4-14/h3-6,12-13H,7-11H2,1-2H3,(H,20,23)/t13-/m0/s1