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

Systemtic Name: 3-[5-(4-bromophenyl)-1-(2,5-dimethoxyphenyl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[5-(4-bromophenyl)-1-(2,5-dimethoxyphenyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[5-(4-bromophenyl)-1-(2,5-dimethoxyphenyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[5-(4-bromophenyl)-1-(2,5-dimethoxyphenyl)pyrrol-2-yl]propanoic acid Traditional Name: 3-[5-(4-bromophenyl)-1-(2,5-dimethoxyphenyl)pyrrol-2-yl]propionic acid Formula: C21H20BrNO4 MolecularWeight: 430.2918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrNO4/c1-26-17-9-11-20(27-2)19(13-17)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)