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

Systemtic Name: 3-bromanyl-4-[5-(7-ethyl-4-methoxy-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 3-bromo-4-[5-(7-ethyl-4-methoxy-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 3-bromo-4-[5-(7-ethyl-4-methoxy-2-benzofuranyl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 3-bromo-4-[5-(7-ethyl-4-methoxy-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 3-bromo-4-[5-(7-ethyl-4-methoxy-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C22H18BrNO4 MolecularWeight: 440.28662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=C(C=C1)OC)C=C(O2)C3=CC=C(N3)C4=C(C=C(C=C4)C(=O)O)Br

Isomeric SMILES

CCC1=C2C(=C(C=C1)OC)C=C(O2)C3=CC=C(N3)C4=C(C=C(C=C4)C(=O)O)Br

InChI

InChI=1S/C22H18BrNO4/c1-3-12-5-9-19(27-2)15-11-20(28-21(12)15)18-8-7-17(24-18)14-6-4-13(22(25)26)10-16(14)23/h4-11,24H,3H2,1-2H3,(H,25,26)