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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-[(4-bromophenyl)carbonylamino]propanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-[(4-bromobenzoyl)amino]propanoate CAS Name: 3-[[(4-bromophenyl)-oxomethyl]amino]propanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-[(4-bromobenzoyl)amino]propanoate Traditional Name: 3-[(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:

C1CCCN(CC1)C(=O)COC(=O)CCNC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)CCNC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H23BrN2O4/c19-15-7-5-14(6-8-15)18(24)20-10-9-17(23)25-13-16(22)21-11-3-1-2-4-12-21/h5-8H,1-4,9-13H2,(H,20,24)