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

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

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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)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4

InChI

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