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

Systemtic Name: 4-[5-(5-chloranyl-3,4,7-trimethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(5-chloro-3,4,7-trimethyl-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(5-chloro-3,4,7-trimethyl-2-benzofuranyl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(5-chloro-3,4,7-trimethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(5-chloro-3,4,7-trimethyl-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C22H18ClNO3 MolecularWeight: 379.83622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1OC(=C2C)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)C)Cl

Isomeric SMILES

CC1=CC(=C(C2=C1OC(=C2C)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)C)Cl

InChI

InChI=1S/C22H18ClNO3/c1-11-10-16(23)12(2)19-13(3)21(27-20(11)19)18-9-8-17(24-18)14-4-6-15(7-5-14)22(25)26/h4-10,24H,1-3H3,(H,25,26)