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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-[4-(2-phenoxyethylamino)piperidin-1-yl]-2-propan-2-yl-pentanenitrile; ethanedioic acid Openeye Name: 2-(3,4-dimethoxyphenyl)-2-isopropyl-5-[4-(2-phenoxyethylamino)-1-piperidyl]pentanenitrile; oxalic acid CAS Name: 2-(3,4-dimethoxyphenyl)-5-[4-(2-phenoxyethylamino)-1-piperidinyl]-2-propan-2-ylpentanenitrile; oxalic acid IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[4-(2-phenoxyethylamino)piperidin-1-yl]-2-propan-2-ylpentanenitrile; oxalic acid Traditional Name: 2-(3,4-dimethoxyphenyl)-2-isopropyl-5-[4-(2-phenoxyethylamino)piperidino]valeronitrile; oxalic acid Formula: C31H43N3O7 MolecularWeight: 569.68902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCC(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(CCCN1CCC(CC1)NCCOC2=CC=CC=C2)(C#N)C3=CC(=C(C=C3)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C29H41N3O3.C2H2O4/c1-23(2)29(22-30,24-11-12-27(33-3)28(21-24)34-4)15-8-17-32-18-13-25(14-19-32)31-16-20-35-26-9-6-5-7-10-26;3-1(4)2(5)6/h5-7,9-12,21,23,25,31H,8,13-20H2,1-4H3;(H,3,4)(H,5,6)