3-[2-(7-bromanylheptoxy)-5-(3-ethoxycarbonylphenyl)carbonyl-phenyl]propanoic acid

Systemtic Name: 3-[2-(7-bromanylheptoxy)-5-(3-ethoxycarbonylphenyl)carbonyl-phenyl]propanoic acid Openeye Name: 3-[2-(7-bromoheptoxy)-5-(3-ethoxycarbonylbenzoyl)phenyl]propanoic acid CAS Name: 3-[2-(7-bromoheptoxy)-5-[(3-ethoxycarbonylphenyl)-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[2-(7-bromoheptoxy)-5-(3-ethoxycarbonylbenzoyl)phenyl]propanoic acid Traditional Name: 3-[2-(7-bromoheptoxy)-5-(3-carbethoxybenzoyl)phenyl]propionic acid Formula: C26H31BrO6 MolecularWeight: 519.42474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31BrO6/c1-2-32-26(31)22-10-8-9-20(18-22)25(30)21-11-13-23(19(17-21)12-14-24(28)29)33-16-7-5-3-4-6-15-27/h8-11,13,17-18H,2-7,12,14-16H2,1H3,(H,28,29)