1-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-4-methyl-cyclohexane-1-carboxylic acid

Systemtic Name: 1-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-4-methyl-cyclohexane-1-carboxylic acid Openeye Name: 1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-methyl-cyclohexanecarboxylic acid CAS Name: 1-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]amino]-4-methyl-1-cyclohexanecarboxylic acid IUPAC Name: 1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid Traditional Name: 1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-methyl-cyclohexanecarboxylic acid Formula: C13H17BrN2O3 MolecularWeight: 329.18968

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C(=O)O)NC(=O)C2=CC(=CN2)Br

Isomeric SMILES

CC1CCC(CC1)(C(=O)O)NC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C13H17BrN2O3/c1-8-2-4-13(5-3-8,12(18)19)16-11(17)10-6-9(14)7-15-10/h6-8,15H,2-5H2,1H3,(H,16,17)(H,18,19)