ethanedioic acid; 3-[methyl-[2-(3-phenyl-2H-1-benzofuran-3-yl)ethyl]amino]propanenitrile

Systemtic Name: ethanedioic acid; 3-[methyl-[2-(3-phenyl-2H-1-benzofuran-3-yl)ethyl]amino]propanenitrile Openeye Name: 3-[methyl-[2-(3-phenyl-2H-benzofuran-3-yl)ethyl]amino]propanenitrile; oxalic acid CAS Name: 3-[methyl-[2-(3-phenyl-2H-benzofuran-3-yl)ethyl]amino]propanenitrile; oxalic acid IUPAC Name: 3-[methyl-[2-(3-phenyl-2H-1-benzofuran-3-yl)ethyl]amino]propanenitrile; oxalic acid Traditional Name: 3-[methyl-[2-(3-phenylcoumaran-3-yl)ethyl]amino]propionitrile; oxalic acid Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)CCC1(COC2=CC=CC=C21)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN(CCC#N)CCC1(COC2=CC=CC=C21)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H22N2O.C2H2O4/c1-22(14-7-13-21)15-12-20(17-8-3-2-4-9-17)16-23-19-11-6-5-10-18(19)20;3-1(4)2(5)6/h2-6,8-11H,7,12,14-16H2,1H3;(H,3,4)(H,5,6)