4-[5-(3,4,7-trimethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid

Systemtic Name: 4-[5-(3,4,7-trimethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(3,4,7-trimethylbenzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(3,4,7-trimethyl-2-benzofuranyl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(3,4,7-trimethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(3,4,7-trimethylbenzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C22H19NO3 MolecularWeight: 345.39116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(OC2=C(C=C1)C)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1=C2C(=C(OC2=C(C=C1)C)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C22H19NO3/c1-12-4-5-13(2)20-19(12)14(3)21(26-20)18-11-10-17(23-18)15-6-8-16(9-7-15)22(24)25/h4-11,23H,1-3H3,(H,24,25)