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

Systemtic Name: 5-[2-(5-bromanyl-2-phenylmethoxy-phenyl)-5-methyl-pyrrol-1-yl]-2-methyl-benzoic acid Openeye Name: 5-[2-(2-benzyloxy-5-bromo-phenyl)-5-methyl-pyrrol-1-yl]-2-methyl-benzoic acid CAS Name: 5-[2-(5-bromo-2-phenylmethoxyphenyl)-5-methyl-1-pyrrolyl]-2-methylbenzoic acid IUPAC Name: 5-[2-(5-bromo-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]-2-methylbenzoic acid Traditional Name: 5-[2-(2-benzoxy-5-bromo-phenyl)-5-methyl-pyrrol-1-yl]-2-methyl-benzoic acid Formula: C26H22BrNO3 MolecularWeight: 476.36178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC=C2C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC=C2C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4)C)C(=O)O

InChI

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