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

Systemtic Name: 3-[5-(4-bromophenyl)-1-(2,4-dimethoxyphenyl)pyrrol-2-yl]propanoate Openeye Name: 3-[5-(4-bromophenyl)-1-(2,4-dimethoxyphenyl)pyrrol-2-yl]propanoate CAS Name: 3-[5-(4-bromophenyl)-1-(2,4-dimethoxyphenyl)-2-pyrrolyl]propanoate IUPAC Name: 3-[5-(4-bromophenyl)-1-(2,4-dimethoxyphenyl)pyrrol-2-yl]propanoate Traditional Name: 3-[5-(4-bromophenyl)-1-(2,4-dimethoxyphenyl)pyrrol-2-yl]propionate Formula: C21H19BrNO4- MolecularWeight: 429.28386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)Br)CCC(=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)Br)CCC(=O)[O-])OC

InChI

InChI=1S/C21H20BrNO4/c1-26-17-9-11-19(20(13-17)27-2)23-16(8-12-21(24)25)7-10-18(23)14-3-5-15(22)6-4-14/h3-7,9-11,13H,8,12H2,1-2H3,(H,24,25)/p-1