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

Systemtic Name: 3-[2-(5-bromanyl-2-phenylmethoxy-phenyl)-5-ethyl-pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-(2-benzyloxy-5-bromo-phenyl)-5-ethyl-pyrrol-1-yl]benzoic acid CAS Name: 3-[2-(5-bromo-2-phenylmethoxyphenyl)-5-ethyl-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-(5-bromo-2-phenylmethoxyphenyl)-5-ethylpyrrol-1-yl]benzoic acid Traditional Name: 3-[2-(2-benzoxy-5-bromo-phenyl)-5-ethyl-pyrrol-1-yl]benzoic acid Formula: C26H22BrNO3 MolecularWeight: 476.36178

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4

InChI

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