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

Systemtic Name: 3-[2-[(E)-6-bromanylhex-1-enyl]-3-ethoxycarbonyl-5-(phenylcarbonyl)phenyl]propanoic acid Openeye Name: 3-[5-benzoyl-2-[(E)-6-bromohex-1-enyl]-3-ethoxycarbonyl-phenyl]propanoic acid CAS Name: 3-[5-benzoyl-2-[(E)-6-bromohex-1-enyl]-3-ethoxycarbonylphenyl]propanoic acid IUPAC Name: 3-[5-benzoyl-2-[(E)-6-bromohex-1-enyl]-3-ethoxycarbonylphenyl]propanoic acid Traditional Name: 3-[5-benzoyl-2-[(E)-6-bromohex-1-enyl]-3-carbethoxy-phenyl]propionic acid Formula: C25H27BrO5 MolecularWeight: 487.38288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27BrO5/c1-2-31-25(30)22-17-20(24(29)18-10-6-5-7-11-18)16-19(13-14-23(27)28)21(22)12-8-3-4-9-15-26/h5-8,10-12,16-17H,2-4,9,13-15H2,1H3,(H,27,28)/b12-8+