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

Systemtic Name: 4-[5-(5-chloranyl-4,7-dimethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(5-chloro-4,7-dimethyl-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(5-chloro-4,7-dimethyl-2-benzofuranyl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(5-chloro-4,7-dimethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(5-chloro-4,7-dimethyl-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C21H16ClNO3 MolecularWeight: 365.80964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClNO3/c1-11-9-16(22)12(2)15-10-19(26-20(11)15)18-8-7-17(23-18)13-3-5-14(6-4-13)21(24)25/h3-10,23H,1-2H3,(H,24,25)