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

Systemtic Name: 3-[5-(4-bromophenyl)-1-(4-ethanoylphenyl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-(4-acetylphenyl)-5-(4-bromophenyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-(4-acetylphenyl)-5-(4-bromophenyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-(4-acetylphenyl)-5-(4-bromophenyl)pyrrol-2-yl]propanoic acid Traditional Name: 3-[1-(4-acetylphenyl)-5-(4-bromophenyl)pyrrol-2-yl]propionic acid Formula: C21H18BrNO3 MolecularWeight: 412.27652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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