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

Systemtic Name: 4-[5-(3-bromanyl-4,5,7-trimethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(3-bromo-4,5,7-trimethyl-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(3-bromo-4,5,7-trimethyl-2-benzofuranyl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(3-bromo-4,5,7-trimethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(3-bromo-4,5,7-trimethyl-benzofuran-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=CC=C(C=C4)C(=O)O)Br)C

Isomeric SMILES

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

InChI

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