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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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