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

Systemtic Name: 2-[5-(4-bromophenyl)-1-(2,4-dimethoxyphenyl)pyrrol-2-yl]ethanoic acid Openeye Name: 2-[5-(4-bromophenyl)-1-(2,4-dimethoxyphenyl)pyrrol-2-yl]acetic acid CAS Name: 2-[5-(4-bromophenyl)-1-(2,4-dimethoxyphenyl)-2-pyrrolyl]acetic acid IUPAC Name: 2-[5-(4-bromophenyl)-1-(2,4-dimethoxyphenyl)pyrrol-2-yl]acetic acid Traditional Name: 2-[5-(4-bromophenyl)-1-(2,4-dimethoxyphenyl)pyrrol-2-yl]acetic acid Formula: C20H18BrNO4 MolecularWeight: 416.26522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrNO4/c1-25-16-8-10-18(19(12-16)26-2)22-15(11-20(23)24)7-9-17(22)13-3-5-14(21)6-4-13/h3-10,12H,11H2,1-2H3,(H,23,24)