3-[2-(1,3-benzodioxol-5-yl)-5-fluoranyl-1H-indol-3-yl]propanoate

Systemtic Name: 3-[2-(1,3-benzodioxol-5-yl)-5-fluoranyl-1H-indol-3-yl]propanoate Openeye Name: 3-[2-(1,3-benzodioxol-5-yl)-5-fluoro-1H-indol-3-yl]propanoate CAS Name: 3-[2-(1,3-benzodioxol-5-yl)-5-fluoro-1H-indol-3-yl]propanoate IUPAC Name: 3-[2-(1,3-benzodioxol-5-yl)-5-fluoro-1H-indol-3-yl]propanoate Traditional Name: 3-[2-(1,3-benzodioxol-5-yl)-5-fluoro-1H-indol-3-yl]propionate Formula: C18H13FNO4- MolecularWeight: 326.298523

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C4=C(N3)C=CC(=C4)F)CCC(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C4=C(N3)C=CC(=C4)F)CCC(=O)[O-]

InChI

InChI=1S/C18H14FNO4/c19-11-2-4-14-13(8-11)12(3-6-17(21)22)18(20-14)10-1-5-15-16(7-10)24-9-23-15/h1-2,4-5,7-8,20H,3,6,9H2,(H,21,22)/p-1