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

Systemtic Name: 3-[5-(4-bromophenyl)-1-(4-ethoxyphenyl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[5-(4-bromophenyl)-1-(4-ethoxyphenyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[5-(4-bromophenyl)-1-(4-ethoxyphenyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[5-(4-bromophenyl)-1-(4-ethoxyphenyl)pyrrol-2-yl]propanoic acid Traditional Name: 3-[5-(4-bromophenyl)-1-p-phenetyl-pyrrol-2-yl]propionic acid Formula: C21H20BrNO3 MolecularWeight: 414.2924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)Br)CCC(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)Br)CCC(=O)O

InChI

InChI=1S/C21H20BrNO3/c1-2-26-19-11-7-17(8-12-19)23-18(10-14-21(24)25)9-13-20(23)15-3-5-16(22)6-4-15/h3-9,11-13H,2,10,14H2,1H3,(H,24,25)