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

Systemtic Name: 3-[2-(4-bromanylbutoxy)-5-(3-ethoxycarbonylphenyl)carbonyl-phenyl]propanoic acid Openeye Name: 3-[2-(4-bromobutoxy)-5-(3-ethoxycarbonylbenzoyl)phenyl]propanoic acid CAS Name: 3-[2-(4-bromobutoxy)-5-[(3-ethoxycarbonylphenyl)-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[2-(4-bromobutoxy)-5-(3-ethoxycarbonylbenzoyl)phenyl]propanoic acid Traditional Name: 3-[2-(4-bromobutoxy)-5-(3-carbethoxybenzoyl)phenyl]propionic acid Formula: C23H25BrO6 MolecularWeight: 477.345

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrO6/c1-2-29-23(28)19-7-5-6-17(15-19)22(27)18-8-10-20(30-13-4-3-12-24)16(14-18)9-11-21(25)26/h5-8,10,14-15H,2-4,9,11-13H2,1H3,(H,25,26)