2-(3,4-dimethoxyphenyl)-5-oxidanylidene-5-[4-(2-phenoxyethylamino)piperidin-1-yl]-2-propan-2-yl-pentanenitrile; ethanedioic acid

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-oxidanylidene-5-[4-(2-phenoxyethylamino)piperidin-1-yl]-2-propan-2-yl-pentanenitrile; ethanedioic acid Openeye Name: 2-(3,4-dimethoxyphenyl)-2-isopropyl-5-oxo-5-[4-(2-phenoxyethylamino)-1-piperidyl]pentanenitrile; oxalic acid CAS Name: 2-(3,4-dimethoxyphenyl)-5-oxo-5-[4-(2-phenoxyethylamino)-1-piperidinyl]-2-propan-2-ylpentanenitrile; oxalic acid IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-oxo-5-[4-(2-phenoxyethylamino)piperidin-1-yl]-2-propan-2-ylpentanenitrile; oxalic acid Traditional Name: 2-(3,4-dimethoxyphenyl)-2-isopropyl-5-keto-5-[4-(2-phenoxyethylamino)piperidino]valeronitrile; oxalic acid Formula: C31H41N3O8 MolecularWeight: 583.67254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(=O)N1CCC(CC1)NCCOC2=CC=CC=C2)(C#N)C3=CC(=C(C=C3)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)C(CCC(=O)N1CCC(CC1)NCCOC2=CC=CC=C2)(C#N)C3=CC(=C(C=C3)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C29H39N3O4.C2H2O4/c1-22(2)29(21-30,23-10-11-26(34-3)27(20-23)35-4)15-12-28(33)32-17-13-24(14-18-32)31-16-19-36-25-8-6-5-7-9-25;3-1(4)2(5)6/h5-11,20,22,24,31H,12-19H2,1-4H3;(H,3,4)(H,5,6)