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

Systemtic Name: 1-(4-dimethylaminophenyl)-1-[3-(dimethylamino)propyl]-3H-2-benzofuran-5-carbonitrile; ethanedioic acid Openeye Name: 1-(4-dimethylaminophenyl)-1-[3-(dimethylamino)propyl]-3H-isobenzofuran-5-carbonitrile; oxalic acid CAS Name: 1-(4-dimethylaminophenyl)-1-[3-(dimethylamino)propyl]-3H-isobenzofuran-5-carbonitrile; oxalic acid IUPAC Name: 1-(4-dimethylaminophenyl)-1-[3-(dimethylamino)propyl]-3H-2-benzofuran-5-carbonitrile; oxalic acid Traditional Name: 1-(4-dimethylaminophenyl)-1-[3-(dimethylamino)propyl]phthalan-5-carbonitrile; oxalic acid Formula: C24H29N3O5 MolecularWeight: 439.50416

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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)N(C)C.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)N(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H27N3O.C2H2O4/c1-24(2)13-5-12-22(19-7-9-20(10-8-19)25(3)4)21-11-6-17(15-23)14-18(21)16-26-22;3-1(4)2(5)6/h6-11,14H,5,12-13,16H2,1-4H3;(H,3,4)(H,5,6)