3-[2-(4-bromophenyl)-5-methyl-pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[2-(4-bromophenyl)-5-methyl-pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-(4-bromophenyl)-5-methyl-pyrrol-1-yl]benzoic acid CAS Name: 3-[2-(4-bromophenyl)-5-methyl-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-(4-bromophenyl)-5-methylpyrrol-1-yl]benzoic acid Traditional Name: 3-[2-(4-bromophenyl)-5-methyl-pyrrol-1-yl]benzoic acid Formula: C18H14BrNO2 MolecularWeight: 356.21326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H14BrNO2/c1-12-5-10-17(13-6-8-15(19)9-7-13)20(12)16-4-2-3-14(11-16)18(21)22/h2-11H,1H3,(H,21,22)