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

Systemtic Name: 3-[5-(4-bromophenyl)-1-(2,5-dimethylphenyl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[5-(4-bromophenyl)-1-(2,5-dimethylphenyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[5-(4-bromophenyl)-1-(2,5-dimethylphenyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[5-(4-bromophenyl)-1-(2,5-dimethylphenyl)pyrrol-2-yl]propanoic acid Traditional Name: 3-[5-(4-bromophenyl)-1-(2,5-dimethylphenyl)pyrrol-2-yl]propionic acid Formula: C21H20BrNO2 MolecularWeight: 398.293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=CC=C2C3=CC=C(C=C3)Br)CCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=CC=C2C3=CC=C(C=C3)Br)CCC(=O)O

InChI

InChI=1S/C21H20BrNO2/c1-14-3-4-15(2)20(13-14)23-18(10-12-21(24)25)9-11-19(23)16-5-7-17(22)8-6-16/h3-9,11,13H,10,12H2,1-2H3,(H,24,25)