3-[2-[(E)-6-bromanylhex-1-enyl]-5-(3-ethoxycarbonylphenyl)carbonyl-phenyl]propanoic acid

Systemtic Name: 3-[2-[(E)-6-bromanylhex-1-enyl]-5-(3-ethoxycarbonylphenyl)carbonyl-phenyl]propanoic acid Openeye Name: 3-[2-[(E)-6-bromohex-1-enyl]-5-(3-ethoxycarbonylbenzoyl)phenyl]propanoic acid CAS Name: 3-[2-[(E)-6-bromohex-1-enyl]-5-[(3-ethoxycarbonylphenyl)-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[2-[(E)-6-bromohex-1-enyl]-5-(3-ethoxycarbonylbenzoyl)phenyl]propanoic acid Traditional Name: 3-[2-[(E)-6-bromohex-1-enyl]-5-(3-carbethoxybenzoyl)phenyl]propionic acid Formula: C25H27BrO5 MolecularWeight: 487.38288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CC=CC(=C1)C(=O)C2=CC(=C(C=C2)/C=C/CCCCBr)CCC(=O)O

InChI

InChI=1S/C25H27BrO5/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/h5,7-12,16-17H,2-4,6,13-15H2,1H3,(H,27,28)/b8-5+