3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-fluoranyl-phenyl]propanoic acid

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-fluoranyl-phenyl]propanoic acid Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-fluoro-phenyl]propanoic acid CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-fluorophenyl]propanoic acid IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-fluorophenyl]propanoic acid Traditional Name: 3-(3-fluoro-4-piperonyloxy-phenyl)propionic acid Formula: C17H15FO5 MolecularWeight: 318.296403

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COC3=C(C=C(C=C3)CCC(=O)O)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COC3=C(C=C(C=C3)CCC(=O)O)F

InChI

InChI=1S/C17H15FO5/c18-13-7-11(3-6-17(19)20)1-4-14(13)21-9-12-2-5-15-16(8-12)23-10-22-15/h1-2,4-5,7-8H,3,6,9-10H2,(H,19,20)