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

Systemtic Name: 4-[5-(7-butyl-4-chloranyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(7-butyl-4-chloro-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(7-butyl-4-chloro-2-benzofuranyl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(7-butyl-4-chloro-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(7-butyl-4-chloro-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C23H20ClNO3 MolecularWeight: 393.8628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=C(C=C1)Cl)C=C(O2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCCCC1=C2C(=C(C=C1)Cl)C=C(O2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H20ClNO3/c1-2-3-4-15-9-10-18(24)17-13-21(28-22(15)17)20-12-11-19(25-20)14-5-7-16(8-6-14)23(26)27/h5-13,25H,2-4H2,1H3,(H,26,27)