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

Systemtic Name: 4-[5-(4-chloranyl-7-propyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(4-chloro-7-propyl-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(4-chloro-7-propyl-2-benzofuranyl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(4-chloro-7-propyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(4-chloro-7-propyl-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C22H18ClNO3 MolecularWeight: 379.83622

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=C(C=C1)Cl)C=C(O2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCCC1=C2C(=C(C=C1)Cl)C=C(O2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H18ClNO3/c1-2-3-14-8-9-17(23)16-12-20(27-21(14)16)19-11-10-18(24-19)13-4-6-15(7-5-13)22(25)26/h4-12,24H,2-3H2,1H3,(H,25,26)