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

Systemtic Name: 3-[5-(4-bromophenyl)-1-(3-methoxycarbonylphenyl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[5-(4-bromophenyl)-1-(3-methoxycarbonylphenyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[5-(4-bromophenyl)-1-(3-methoxycarbonylphenyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[5-(4-bromophenyl)-1-(3-methoxycarbonylphenyl)pyrrol-2-yl]propanoic acid Traditional Name: 3-[5-(4-bromophenyl)-1-(3-carbomethoxyphenyl)pyrrol-2-yl]propionic acid Formula: C21H18BrNO4 MolecularWeight: 428.27592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrNO4/c1-27-21(26)15-3-2-4-18(13-15)23-17(10-12-20(24)25)9-11-19(23)14-5-7-16(22)8-6-14/h2-9,11,13H,10,12H2,1H3,(H,24,25)