ethanedioic acid; 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-2-benzofuran-5-carbonitrile

Systemtic Name: ethanedioic acid; 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-2-benzofuran-5-carbonitrile Openeye Name: 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-isobenzofuran-5-carbonitrile; oxalic acid CAS Name: 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-isobenzofuran-5-carbonitrile; oxalic acid IUPAC Name: 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-2-benzofuran-5-carbonitrile; oxalic acid Traditional Name: 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]phthalan-5-carbonitrile; oxalic acid Formula: C21H21FN2O5 MolecularWeight: 400.400243

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

CNCCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H19FN2O.C2H2O4/c1-22-10-2-9-19(16-4-6-17(20)7-5-16)18-8-3-14(12-21)11-15(18)13-23-19;3-1(4)2(5)6/h3-8,11,22H,2,9-10,13H2,1H3;(H,3,4)(H,5,6)