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

Systemtic Name: 4-[5-(7-ethyl-5-methoxy-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(7-ethyl-5-methoxy-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(7-ethyl-5-methoxy-2-benzofuranyl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(7-ethyl-5-methoxy-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(7-ethyl-5-methoxy-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C22H19NO4 MolecularWeight: 361.39056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO4/c1-3-13-10-17(26-2)11-16-12-20(27-21(13)16)19-9-8-18(23-19)14-4-6-15(7-5-14)22(24)25/h4-12,23H,3H2,1-2H3,(H,24,25)