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

Systemtic Name: 5-[2-(5-bromanyl-2-phenylmethoxy-phenyl)-5-methyl-pyrrol-1-yl]-2-methoxy-benzoic acid Openeye Name: 5-[2-(2-benzyloxy-5-bromo-phenyl)-5-methyl-pyrrol-1-yl]-2-methoxy-benzoic acid CAS Name: 5-[2-(5-bromo-2-phenylmethoxyphenyl)-5-methyl-1-pyrrolyl]-2-methoxybenzoic acid IUPAC Name: 5-[2-(5-bromo-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]-2-methoxybenzoic acid Traditional Name: 5-[2-(2-benzoxy-5-bromo-phenyl)-5-methyl-pyrrol-1-yl]-2-methoxy-benzoic acid Formula: C26H22BrNO4 MolecularWeight: 492.36118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22BrNO4/c1-17-8-11-23(28(17)20-10-13-24(31-2)22(15-20)26(29)30)21-14-19(27)9-12-25(21)32-16-18-6-4-3-5-7-18/h3-15H,16H2,1-2H3,(H,29,30)