(1R,2R)-2-[(4-bromanyl-2-fluoranyl-phenyl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2R)-2-[(4-bromanyl-2-fluoranyl-phenyl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2R)-2-[(4-bromo-2-fluoro-phenyl)carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2R)-2-[(4-bromo-2-fluoroanilino)-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2R)-2-[(4-bromo-2-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2R)-2-[(4-bromo-2-fluoro-phenyl)carbamoyl]cyclohexanecarboxylate Formula: C14H14BrFNO3- MolecularWeight: 343.168263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=C(C=C(C=C2)Br)F)C(=O)[O-]

Isomeric SMILES

C1CC[C@H]([C@@H](C1)C(=O)NC2=C(C=C(C=C2)Br)F)C(=O)[O-]

InChI

InChI=1S/C14H15BrFNO3/c15-8-5-6-12(11(16)7-8)17-13(18)9-3-1-2-4-10(9)14(19)20/h5-7,9-10H,1-4H2,(H,17,18)(H,19,20)/p-1/t9-,10-/m1/s1