[1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-bromanyl-5-fluoranyl-benzoate

Systemtic Name: [1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-bromanyl-5-fluoranyl-benzoate Openeye Name: [1-methyl-2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 2-bromo-5-fluoro-benzoate CAS Name: 2-bromo-5-fluorobenzoic acid [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-bromo-5-fluorobenzoate Traditional Name: 2-bromo-5-fluoro-benzoic acid [2-keto-1-methyl-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C17H21BrFNO3 MolecularWeight: 386.255943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrFNO3/c1-10-5-3-4-6-15(10)20-16(21)11(2)23-17(22)13-9-12(19)7-8-14(13)18/h7-11,15H,3-6H2,1-2H3,(H,20,21)