[2-(5-methylhexan-2-ylamino)-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-(5-methylhexan-2-ylamino)-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(1,4-dimethylpentylamino)-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(5-methylhexan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(5-methylhexan-2-ylamino)-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(1,4-dimethylpentylamino)-2-keto-ethyl] ester Formula: C14H21BrN2O3 MolecularWeight: 345.23214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)COC(=O)C1=CC(=CN1)Br

Isomeric SMILES

CC(C)CCC(C)NC(=O)COC(=O)C1=CC(=CN1)Br

InChI

InChI=1S/C14H21BrN2O3/c1-9(2)4-5-10(3)17-13(18)8-20-14(19)12-6-11(15)7-16-12/h6-7,9-10,16H,4-5,8H2,1-3H3,(H,17,18)