[(1S,4S)-4-benzamidocycloheptyl] 2-bromanylethanoate

Systemtic Name: [(1S,4S)-4-benzamidocycloheptyl] 2-bromanylethanoate Openeye Name: [(1S,4S)-4-benzamidocycloheptyl] 2-bromoacetate CAS Name: 2-bromoacetic acid [(1S,4S)-4-benzamidocycloheptyl] ester IUPAC Name: [(1S,4S)-4-benzamidocycloheptyl] 2-bromoacetate Traditional Name: 2-bromoacetic acid [(1S,4S)-4-benzamidocycloheptyl] ester Formula: C16H20BrNO3 MolecularWeight: 354.2389

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC(C1)OC(=O)CBr)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C1C[C@@H](CC[C@H](C1)OC(=O)CBr)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H20BrNO3/c17-11-15(19)21-14-8-4-7-13(9-10-14)18-16(20)12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,18,20)/t13-,14-/m0/s1