[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(1,5-dimethylhexylamino)-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(6-methylheptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(1,5-dimethylhexylamino)-2-keto-ethyl] ester Formula: C15H23BrN2O3 MolecularWeight: 359.25872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23BrN2O3/c1-10(2)5-4-6-11(3)18-14(19)9-21-15(20)13-7-12(16)8-17-13/h7-8,10-11,17H,4-6,9H2,1-3H3,(H,18,19)