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

Systemtic Name: 4-[5-(4,7-dimethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]-3-fluoranyl-benzoic acid Openeye Name: 4-[5-(4,7-dimethylbenzofuran-2-yl)-1H-pyrrol-2-yl]-3-fluoro-benzoic acid CAS Name: 4-[5-(4,7-dimethyl-2-benzofuranyl)-1H-pyrrol-2-yl]-3-fluorobenzoic acid IUPAC Name: 4-[5-(4,7-dimethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]-3-fluorobenzoic acid Traditional Name: 4-[5-(4,7-dimethylbenzofuran-2-yl)-1H-pyrrol-2-yl]-3-fluoro-benzoic acid Formula: C21H16FNO3 MolecularWeight: 349.355043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16FNO3/c1-11-3-4-12(2)20-15(11)10-19(26-20)18-8-7-17(23-18)14-6-5-13(21(24)25)9-16(14)22/h3-10,23H,1-2H3,(H,24,25)