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

Systemtic Name: 3-[5-(4-bromophenyl)-1-(2,5-dimethylphenyl)pyrrol-2-yl]propanoate Openeye Name: 3-[5-(4-bromophenyl)-1-(2,5-dimethylphenyl)pyrrol-2-yl]propanoate CAS Name: 3-[5-(4-bromophenyl)-1-(2,5-dimethylphenyl)-2-pyrrolyl]propanoate IUPAC Name: 3-[5-(4-bromophenyl)-1-(2,5-dimethylphenyl)pyrrol-2-yl]propanoate Traditional Name: 3-[5-(4-bromophenyl)-1-(2,5-dimethylphenyl)pyrrol-2-yl]propionate Formula: C21H19BrNO2- MolecularWeight: 397.28506

Click to see the large picture

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)/p-1