3-[2-(6-bromanylhexoxy)-5-(3-ethoxycarbonylphenyl)carbonyl-phenyl]propanoic acid

Systemtic Name: 3-[2-(6-bromanylhexoxy)-5-(3-ethoxycarbonylphenyl)carbonyl-phenyl]propanoic acid Openeye Name: 3-[2-(6-bromohexoxy)-5-(3-ethoxycarbonylbenzoyl)phenyl]propanoic acid CAS Name: 3-[2-(6-bromohexoxy)-5-[(3-ethoxycarbonylphenyl)-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[2-(6-bromohexoxy)-5-(3-ethoxycarbonylbenzoyl)phenyl]propanoic acid Traditional Name: 3-[2-(6-bromohexoxy)-5-(3-carbethoxybenzoyl)phenyl]propionic acid Formula: C25H29BrO6 MolecularWeight: 505.39816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29BrO6/c1-2-31-25(30)21-9-7-8-19(17-21)24(29)20-10-12-22(18(16-20)11-13-23(27)28)32-15-6-4-3-5-14-26/h7-10,12,16-17H,2-6,11,13-15H2,1H3,(H,27,28)