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

Systemtic Name: 4-[5-(5-ethyl-7-methyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(5-ethyl-7-methyl-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(5-ethyl-7-methyl-2-benzofuranyl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(5-ethyl-7-methyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(5-ethyl-7-methyl-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C22H19NO3 MolecularWeight: 345.39116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO3/c1-3-14-10-13(2)21-17(11-14)12-20(26-21)19-9-8-18(23-19)15-4-6-16(7-5-15)22(24)25/h4-12,23H,3H2,1-2H3,(H,24,25)