1-(3-azanylpropyl)-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile; ethanedioic acid

Systemtic Name: 1-(3-azanylpropyl)-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile; ethanedioic acid Openeye Name: 1-(3-aminopropyl)-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile; oxalic acid CAS Name: 1-(3-aminopropyl)-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile; oxalic acid IUPAC Name: 1-(3-aminopropyl)-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile; oxalic acid Traditional Name: 1-(3-aminopropyl)-1-(4-fluorophenyl)phthalan-5-carbonitrile; oxalic acid Formula: C20H19FN2O5 MolecularWeight: 386.373663

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C#N)C(O1)(CCCN)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1C2=C(C=CC(=C2)C#N)C(O1)(CCCN)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H17FN2O.C2H2O4/c19-16-5-3-15(4-6-16)18(8-1-9-20)17-7-2-13(11-21)10-14(17)12-22-18;3-1(4)2(5)6/h2-7,10H,1,8-9,12,20H2;(H,3,4)(H,5,6)