4,5-bis(bromanyl)-2-(pyridin-3-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid

Systemtic Name: 4,5-bis(bromanyl)-2-(pyridin-3-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid Openeye Name: 4,5-dibromo-2-(3-pyridylmethylcarbamoyl)cyclohexanecarboxylic acid CAS Name: 4,5-dibromo-2-[oxo-(3-pyridinylmethylamino)methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4,5-dibromo-2-(pyridin-3-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid Traditional Name: 4,5-dibromo-2-(3-pyridylmethylcarbamoyl)cyclohexanecarboxylic acid Formula: C14H16Br2N2O3 MolecularWeight: 420.09644

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CC(C1Br)Br)C(=O)O)C(=O)NCC2=CN=CC=C2

Isomeric SMILES

C1C(C(CC(C1Br)Br)C(=O)O)C(=O)NCC2=CN=CC=C2

InChI

InChI=1S/C14H16Br2N2O3/c15-11-4-9(10(14(20)21)5-12(11)16)13(19)18-7-8-2-1-3-17-6-8/h1-3,6,9-12H,4-5,7H2,(H,18,19)(H,20,21)