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

Systemtic Name: 1-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)-3H-2-benzofuran-5-carbonitrile; ethanedioic acid Openeye Name: 1-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)-3H-isobenzofuran-5-carbonitrile; oxalic acid CAS Name: 1-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)-3H-isobenzofuran-5-carbonitrile; oxalic acid IUPAC Name: 1-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)-3H-2-benzofuran-5-carbonitrile; oxalic acid Traditional Name: 1-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)phthalan-5-carbonitrile; oxalic acid Formula: C23H26N2O6 MolecularWeight: 426.46234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O2.C2H2O4/c1-23(2)12-4-11-21(18-6-8-19(24-3)9-7-18)20-10-5-16(14-22)13-17(20)15-25-21;3-1(4)2(5)6/h5-10,13H,4,11-12,15H2,1-3H3;(H,3,4)(H,5,6)