ethyl 5-[[(5-bromanylfuran-2-yl)carbonyl-(phenylmethyl)amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[[(5-bromanylfuran-2-yl)carbonyl-(phenylmethyl)amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[[benzyl-(5-bromofuran-2-carbonyl)amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[[(5-bromo-2-furanyl)-oxomethyl]-(phenylmethyl)amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[benzyl-(5-bromofuran-2-carbonyl)amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[benzyl-(5-bromo-2-furoyl)amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H23BrN2O4 MolecularWeight: 459.33302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)CN(CC2=CC=CC=C2)C(=O)C3=CC=C(O3)Br)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)CN(CC2=CC=CC=C2)C(=O)C3=CC=C(O3)Br)C

InChI

InChI=1S/C22H23BrN2O4/c1-4-28-22(27)20-14(2)17(24-15(20)3)13-25(12-16-8-6-5-7-9-16)21(26)18-10-11-19(23)29-18/h5-11,24H,4,12-13H2,1-3H3