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

Systemtic Name: 3-bromanyl-4-[5-(4,7-dimethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 3-bromo-4-[5-(4,7-dimethylbenzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 3-bromo-4-[5-(4,7-dimethyl-2-benzofuranyl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 3-bromo-4-[5-(4,7-dimethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 3-bromo-4-[5-(4,7-dimethylbenzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C21H16BrNO3 MolecularWeight: 410.26064

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)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrNO3/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)