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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)carbonylamino]ethanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-[(4-bromobenzoyl)amino]acetate CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]acetic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate Traditional Name: 2-[(4-bromobenzoyl)amino]acetic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C17H21BrN2O4 MolecularWeight: 397.26364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN2O4/c18-14-7-5-13(6-8-14)17(23)19-11-16(22)24-12-15(21)20-9-3-1-2-4-10-20/h5-8H,1-4,9-12H2,(H,19,23)