3-[2-(8-bromanyloctoxy)-5-(3-ethoxycarbonylphenyl)carbonyl-phenyl]propanoic acid

Systemtic Name: 3-[2-(8-bromanyloctoxy)-5-(3-ethoxycarbonylphenyl)carbonyl-phenyl]propanoic acid Openeye Name: 3-[2-(8-bromooctoxy)-5-(3-ethoxycarbonylbenzoyl)phenyl]propanoic acid CAS Name: 3-[2-(8-bromooctoxy)-5-[(3-ethoxycarbonylphenyl)-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[2-(8-bromooctoxy)-5-(3-ethoxycarbonylbenzoyl)phenyl]propanoic acid Traditional Name: 3-[2-(8-bromooctoxy)-5-(3-carbethoxybenzoyl)phenyl]propionic acid Formula: C27H33BrO6 MolecularWeight: 533.45132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33BrO6/c1-2-33-27(32)23-11-9-10-21(19-23)26(31)22-12-14-24(20(18-22)13-15-25(29)30)34-17-8-6-4-3-5-7-16-28/h9-12,14,18-19H,2-8,13,15-17H2,1H3,(H,29,30)