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

Systemtic Name: 3-[1-(5-bromanyl-2-phenylmethoxy-phenyl)-5-methyl-pyrrol-2-yl]benzoic acid Openeye Name: 3-[1-(2-benzyloxy-5-bromo-phenyl)-5-methyl-pyrrol-2-yl]benzoic acid CAS Name: 3-[1-(5-bromo-2-phenylmethoxyphenyl)-5-methyl-2-pyrrolyl]benzoic acid IUPAC Name: 3-[1-(5-bromo-2-phenylmethoxyphenyl)-5-methylpyrrol-2-yl]benzoic acid Traditional Name: 3-[1-(2-benzoxy-5-bromo-phenyl)-5-methyl-pyrrol-2-yl]benzoic acid Formula: C25H20BrNO3 MolecularWeight: 462.3352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(N1C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C25H20BrNO3/c1-17-10-12-22(19-8-5-9-20(14-19)25(28)29)27(17)23-15-21(26)11-13-24(23)30-16-18-6-3-2-4-7-18/h2-15H,16H2,1H3,(H,28,29)