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

Systemtic Name: 3-[2-(6-bromanylhexyl)-5-(3-ethoxycarbonylphenyl)carbonyl-phenyl]propanoic acid Openeye Name: 3-[2-(6-bromohexyl)-5-(3-ethoxycarbonylbenzoyl)phenyl]propanoic acid CAS Name: 3-[2-(6-bromohexyl)-5-[(3-ethoxycarbonylphenyl)-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[2-(6-bromohexyl)-5-(3-ethoxycarbonylbenzoyl)phenyl]propanoic acid Traditional Name: 3-[2-(6-bromohexyl)-5-(3-carbethoxybenzoyl)phenyl]propionic acid Formula: C25H29BrO5 MolecularWeight: 489.39876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29BrO5/c1-2-31-25(30)22-10-7-9-20(17-22)24(29)21-12-11-18(8-5-3-4-6-15-26)19(16-21)13-14-23(27)28/h7,9-12,16-17H,2-6,8,13-15H2,1H3,(H,27,28)