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

Systemtic Name: 3-[5-(4-bromophenyl)-1-(4-ethoxycarbonylphenyl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[5-(4-bromophenyl)-1-(4-ethoxycarbonylphenyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[5-(4-bromophenyl)-1-(4-ethoxycarbonylphenyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[5-(4-bromophenyl)-1-(4-ethoxycarbonylphenyl)pyrrol-2-yl]propanoic acid Traditional Name: 3-[5-(4-bromophenyl)-1-(4-carbethoxyphenyl)pyrrol-2-yl]propionic acid Formula: C22H20BrNO4 MolecularWeight: 442.3025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrNO4/c1-2-28-22(27)16-5-9-18(10-6-16)24-19(12-14-21(25)26)11-13-20(24)15-3-7-17(23)8-4-15/h3-11,13H,2,12,14H2,1H3,(H,25,26)