(1S)-2-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S)-2-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S)-2-[[(3-bromo-4-methyl-benzoyl)amino]carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S)-2-[[[(3-bromo-4-methylphenyl)-oxomethyl]hydrazo]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S)-2-[[(3-bromo-4-methylbenzoyl)amino]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S)-2-[[(3-bromo-4-methyl-benzoyl)amino]carbamoyl]cyclohexanecarboxylic acid Formula: C16H19BrN2O4 MolecularWeight: 383.23706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NNC(=O)C2CCCCC2C(=O)O)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NNC(=O)C2CCCC[C@@H]2C(=O)O)Br

InChI

InChI=1S/C16H19BrN2O4/c1-9-6-7-10(8-13(9)17)14(20)18-19-15(21)11-4-2-3-5-12(11)16(22)23/h6-8,11-12H,2-5H2,1H3,(H,18,20)(H,19,21)(H,22,23)/t11?,12-/m0/s1