3-[2-(5-bromanylpentoxy)-5-(4-ethoxycarbonylphenyl)carbonyl-phenyl]propanoic acid

Systemtic Name: 3-[2-(5-bromanylpentoxy)-5-(4-ethoxycarbonylphenyl)carbonyl-phenyl]propanoic acid Openeye Name: 3-[2-(5-bromopentoxy)-5-(4-ethoxycarbonylbenzoyl)phenyl]propanoic acid CAS Name: 3-[2-(5-bromopentoxy)-5-[(4-ethoxycarbonylphenyl)-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[2-(5-bromopentoxy)-5-(4-ethoxycarbonylbenzoyl)phenyl]propanoic acid Traditional Name: 3-[2-(5-bromopentoxy)-5-(4-carbethoxybenzoyl)phenyl]propionic acid Formula: C24H27BrO6 MolecularWeight: 491.37158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)OCCCCCBr)CCC(=O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)OCCCCCBr)CCC(=O)O

InChI

InChI=1S/C24H27BrO6/c1-2-30-24(29)18-8-6-17(7-9-18)23(28)20-10-12-21(31-15-5-3-4-14-25)19(16-20)11-13-22(26)27/h6-10,12,16H,2-5,11,13-15H2,1H3,(H,26,27)