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

Systemtic Name: 4-[5-(4,5-dimethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(4,5-dimethylbenzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(4,5-dimethyl-2-benzofuranyl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(4,5-dimethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(4,5-dimethylbenzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C21H17NO3 MolecularWeight: 331.36458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)OC(=C2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)OC(=C2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C21H17NO3/c1-12-3-10-19-16(13(12)2)11-20(25-19)18-9-8-17(22-18)14-4-6-15(7-5-14)21(23)24/h3-11,22H,1-2H3,(H,23,24)