3-bromanyl-4-[5-(4,5,7-trimethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid

Systemtic Name: 3-bromanyl-4-[5-(4,5,7-trimethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 3-bromo-4-[5-(4,5,7-trimethylbenzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 3-bromo-4-[5-(4,5,7-trimethyl-2-benzofuranyl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 3-bromo-4-[5-(4,5,7-trimethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 3-bromo-4-[5-(4,5,7-trimethylbenzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C22H18BrNO3 MolecularWeight: 424.28722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1C)C=C(O2)C3=CC=C(N3)C4=C(C=C(C=C4)C(=O)O)Br)C

Isomeric SMILES

CC1=CC(=C2C(=C1C)C=C(O2)C3=CC=C(N3)C4=C(C=C(C=C4)C(=O)O)Br)C

InChI

InChI=1S/C22H18BrNO3/c1-11-8-12(2)21-16(13(11)3)10-20(27-21)19-7-6-18(24-19)15-5-4-14(22(25)26)9-17(15)23/h4-10,24H,1-3H3,(H,25,26)