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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)Cl)C=C(O2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCC1=C2C(=CC(=C1)Cl)C=C(O2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H16ClNO3/c1-2-12-9-16(22)10-15-11-19(26-20(12)15)18-8-7-17(23-18)13-3-5-14(6-4-13)21(24)25/h3-11,23H,2H2,1H3,(H,24,25)