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

Systemtic Name: (1S,2R)-2-[(2-bromanyl-4-methyl-phenyl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[(2-bromo-4-methyl-phenyl)carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[(2-bromo-4-methylanilino)-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[(2-bromo-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[(2-bromo-4-methyl-phenyl)carbamoyl]cyclohexanecarboxylate Formula: C15H17BrNO3- MolecularWeight: 339.20438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2CCCCC2C(=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])Br

InChI

InChI=1S/C15H18BrNO3/c1-9-6-7-13(12(16)8-9)17-14(18)10-4-2-3-5-11(10)15(19)20/h6-8,10-11H,2-5H2,1H3,(H,17,18)(H,19,20)/p-1/t10-,11+/m1/s1