3-[2-[5-bromanyl-2-(2-methylpropoxy)phenyl]-5-methyl-pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[2-[5-bromanyl-2-(2-methylpropoxy)phenyl]-5-methyl-pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-(5-bromo-2-isobutoxy-phenyl)-5-methyl-pyrrol-1-yl]benzoic acid CAS Name: 3-[2-[5-bromo-2-(2-methylpropoxy)phenyl]-5-methyl-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-[5-bromo-2-(2-methylpropoxy)phenyl]-5-methylpyrrol-1-yl]benzoic acid Traditional Name: 3-[2-(5-bromo-2-isobutoxy-phenyl)-5-methyl-pyrrol-1-yl]benzoic acid Formula: C22H22BrNO3 MolecularWeight: 428.31898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C3=C(C=CC(=C3)Br)OCC(C)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C3=C(C=CC(=C3)Br)OCC(C)C

InChI

InChI=1S/C22H22BrNO3/c1-14(2)13-27-21-10-8-17(23)12-19(21)20-9-7-15(3)24(20)18-6-4-5-16(11-18)22(25)26/h4-12,14H,13H2,1-3H3,(H,25,26)