4-[5-(2,3-dimethyl-1-benzofuran-5-yl)-1H-pyrrol-2-yl]benzoic acid

Systemtic Name: 4-[5-(2,3-dimethyl-1-benzofuran-5-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(2,3-dimethylbenzofuran-5-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(2,3-dimethyl-5-benzofuranyl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(2,3-dimethyl-1-benzofuran-5-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(2,3-dimethylbenzofuran-5-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C21H17NO3 MolecularWeight: 331.36458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)C

InChI

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