3-[5-(4-bromophenyl)-1-(3-ethanoylphenyl)pyrrol-2-yl]propanoate

Systemtic Name: 3-[5-(4-bromophenyl)-1-(3-ethanoylphenyl)pyrrol-2-yl]propanoate Openeye Name: 3-[1-(3-acetylphenyl)-5-(4-bromophenyl)pyrrol-2-yl]propanoate CAS Name: 3-[1-(3-acetylphenyl)-5-(4-bromophenyl)-2-pyrrolyl]propanoate IUPAC Name: 3-[1-(3-acetylphenyl)-5-(4-bromophenyl)pyrrol-2-yl]propanoate Traditional Name: 3-[1-(3-acetylphenyl)-5-(4-bromophenyl)pyrrol-2-yl]propionate Formula: C21H17BrNO3- MolecularWeight: 411.26858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)N2C(=CC=C2C3=CC=C(C=C3)Br)CCC(=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)N2C(=CC=C2C3=CC=C(C=C3)Br)CCC(=O)[O-]

InChI

InChI=1S/C21H18BrNO3/c1-14(24)16-3-2-4-19(13-16)23-18(10-12-21(25)26)9-11-20(23)15-5-7-17(22)8-6-15/h2-9,11,13H,10,12H2,1H3,(H,25,26)/p-1