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

Systemtic Name: 4-[5-(7-ethynyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(7-ethynylbenzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(7-ethynyl-2-benzofuranyl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(7-ethynyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(7-ethynylbenzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C21H13NO3 MolecularWeight: 327.33282

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C2C(=CC=C1)C=C(O2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C#CC1=C2C(=CC=C1)C=C(O2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H13NO3/c1-2-13-4-3-5-16-12-19(25-20(13)16)18-11-10-17(22-18)14-6-8-15(9-7-14)21(23)24/h1,3-12,22H,(H,23,24)