[(1S)-2-oxidanylidenecyclohexyl] 3-[(4-bromophenyl)carbonylamino]propanoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 3-[(4-bromophenyl)carbonylamino]propanoate Openeye Name: [(1S)-2-oxocyclohexyl] 3-[(4-bromobenzoyl)amino]propanoate CAS Name: 3-[[(4-bromophenyl)-oxomethyl]amino]propanoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 3-[(4-bromobenzoyl)amino]propanoate Traditional Name: 3-[(4-bromobenzoyl)amino]propionic acid [(1S)-2-ketocyclohexyl] ester Formula: C16H18BrNO4 MolecularWeight: 368.22242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)CCNC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)CCNC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H18BrNO4/c17-12-7-5-11(6-8-12)16(21)18-10-9-15(20)22-14-4-2-1-3-13(14)19/h5-8,14H,1-4,9-10H2,(H,18,21)/t14-/m0/s1