[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 2-bromanyl-5-fluoranyl-benzoate

Systemtic Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 2-bromanyl-5-fluoranyl-benzoate Openeye Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 2-bromo-5-fluoro-benzoate CAS Name: 2-bromo-5-fluorobenzoic acid [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate Traditional Name: 2-bromo-5-fluoro-benzoic acid [2-keto-2-[[(1S,2S)-2-methylcyclohexyl]amino]ethyl] ester Formula: C16H19BrFNO3 MolecularWeight: 372.229363

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)C2=C(C=CC(=C2)F)Br

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=C(C=CC(=C2)F)Br

InChI

InChI=1S/C16H19BrFNO3/c1-10-4-2-3-5-14(10)19-15(20)9-22-16(21)12-8-11(18)6-7-13(12)17/h6-8,10,14H,2-5,9H2,1H3,(H,19,20)/t10-,14-/m0/s1