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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1CCCCCC1)NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)N1CCCCCC1)NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H23BrN2O4/c1-13(20-17(23)14-6-8-15(19)9-7-14)18(24)25-12-16(22)21-10-4-2-3-5-11-21/h6-9,13H,2-5,10-12H2,1H3,(H,20,23)/t13-/m0/s1