4-[(E)-2-[4-(5-butan-2-yl-1-benzofuran-2-yl)-2-fluoranyl-phenyl]ethenyl]-3-butyl-benzoic acid

Systemtic Name: 4-[(E)-2-[4-(5-butan-2-yl-1-benzofuran-2-yl)-2-fluoranyl-phenyl]ethenyl]-3-butyl-benzoic acid Openeye Name: 3-butyl-4-[(E)-2-[2-fluoro-4-(5-sec-butylbenzofuran-2-yl)phenyl]vinyl]benzoic acid CAS Name: 4-[(E)-2-[4-(5-butan-2-yl-2-benzofuranyl)-2-fluorophenyl]ethenyl]-3-butylbenzoic acid IUPAC Name: 4-[(E)-2-[4-(5-butan-2-yl-1-benzofuran-2-yl)-2-fluorophenyl]ethenyl]-3-butylbenzoic acid Traditional Name: 3-butyl-4-[(E)-2-[2-fluoro-4-(5-sec-butylbenzofuran-2-yl)phenyl]vinyl]benzoic acid Formula: C31H31FO3 MolecularWeight: 470.574443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)C(=O)O)C=CC2=C(C=C(C=C2)C3=CC4=C(O3)C=CC(=C4)C(C)CC)F

Isomeric SMILES

CCCCC1=C(C=CC(=C1)C(=O)O)/C=C/C2=C(C=C(C=C2)C3=CC4=C(O3)C=CC(=C4)C(C)CC)F

InChI

InChI=1S/C31H31FO3/c1-4-6-7-24-17-26(31(33)34)13-9-21(24)8-10-22-11-12-25(18-28(22)32)30-19-27-16-23(20(3)5-2)14-15-29(27)35-30/h8-20H,4-7H2,1-3H3,(H,33,34)/b10-8+