3-[2-[5-bromanyl-2-[(4-methylphenyl)methoxy]phenyl]-5-methyl-pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[2-[5-bromanyl-2-[(4-methylphenyl)methoxy]phenyl]-5-methyl-pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-[5-bromo-2-(p-tolylmethoxy)phenyl]-5-methyl-pyrrol-1-yl]benzoic acid CAS Name: 3-[2-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-5-methyl-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]benzoic acid Traditional Name: 3-[2-[5-bromo-2-(4-methylbenzyl)oxy-phenyl]-5-methyl-pyrrol-1-yl]benzoic acid Formula: C26H22BrNO3 MolecularWeight: 476.36178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C3=CC=C(N3C4=CC=CC(=C4)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C3=CC=C(N3C4=CC=CC(=C4)C(=O)O)C

InChI

InChI=1S/C26H22BrNO3/c1-17-6-9-19(10-7-17)16-31-25-13-11-21(27)15-23(25)24-12-8-18(2)28(24)22-5-3-4-20(14-22)26(29)30/h3-15H,16H2,1-2H3,(H,29,30)