[2-oxidanylidene-2-(1-phenylbutylamino)ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(1-phenylbutylamino)ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-oxo-2-(1-phenylbutylamino)ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-oxo-2-(1-phenylbutylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-phenylbutylamino)ethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-keto-2-(1-phenylbutylamino)ethyl] ester Formula: C17H19BrN2O3 MolecularWeight: 379.24836

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=CN2)Br

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C17H19BrN2O3/c1-2-6-14(12-7-4-3-5-8-12)20-16(21)11-23-17(22)15-9-13(18)10-19-15/h3-5,7-10,14,19H,2,6,11H2,1H3,(H,20,21)