1-[3-(dimethylamino)propyl]-1-phenyl-3H-2-benzofuran-5-carbonitrile; ethanedioic acid

Systemtic Name: 1-[3-(dimethylamino)propyl]-1-phenyl-3H-2-benzofuran-5-carbonitrile; ethanedioic acid Openeye Name: 1-[3-(dimethylamino)propyl]-1-phenyl-3H-isobenzofuran-5-carbonitrile; oxalic acid CAS Name: 1-[3-(dimethylamino)propyl]-1-phenyl-3H-isobenzofuran-5-carbonitrile; oxalic acid IUPAC Name: 1-[3-(dimethylamino)propyl]-1-phenyl-3H-2-benzofuran-5-carbonitrile; oxalic acid Traditional Name: 1-[3-(dimethylamino)propyl]-1-phenyl-phthalan-5-carbonitrile; oxalic acid Formula: C22H24N2O5 MolecularWeight: 396.43636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H22N2O.C2H2O4/c1-22(2)12-6-11-20(18-7-4-3-5-8-18)19-10-9-16(14-21)13-17(19)15-23-20;3-1(4)2(5)6/h3-5,7-10,13H,6,11-12,15H2,1-2H3;(H,3,4)(H,5,6)