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

Systemtic Name: 4-[5-(5-chloranyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]-2,5-dimethyl-benzoic acid Openeye Name: 4-[5-(5-chlorobenzofuran-2-yl)-1H-pyrrol-2-yl]-2,5-dimethyl-benzoic acid CAS Name: 4-[5-(5-chloro-2-benzofuranyl)-1H-pyrrol-2-yl]-2,5-dimethylbenzoic acid IUPAC Name: 4-[5-(5-chloro-1-benzofuran-2-yl)-1H-pyrrol-2-yl]-2,5-dimethylbenzoic acid Traditional Name: 4-[5-(5-chlorobenzofuran-2-yl)-1H-pyrrol-2-yl]-2,5-dimethyl-benzoic acid Formula: C21H16ClNO3 MolecularWeight: 365.80964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=CC=C(N2)C3=CC4=C(O3)C=CC(=C4)Cl)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1C2=CC=C(N2)C3=CC4=C(O3)C=CC(=C4)Cl)C)C(=O)O

InChI

InChI=1S/C21H16ClNO3/c1-11-8-16(21(24)25)12(2)7-15(11)17-4-5-18(23-17)20-10-13-9-14(22)3-6-19(13)26-20/h3-10,23H,1-2H3,(H,24,25)