5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-(2-methylphenyl)pentanenitrile; ethanedioic acid

Systemtic Name: 5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-(2-methylphenyl)pentanenitrile; ethanedioic acid Openeye Name: 5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-(o-tolyl)pentanenitrile; oxalic acid CAS Name: 5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(2-methylphenyl)pentanenitrile; oxalic acid IUPAC Name: 5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(2-methylphenyl)pentanenitrile; oxalic acid Traditional Name: 5-[homoveratryl(methyl)amino]-2-(o-tolyl)valeronitrile; oxalic acid Formula: C25H32N2O6 MolecularWeight: 456.53138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCCN(C)CCC2=CC(=C(C=C2)OC)OC)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1C(CCCN(C)CCC2=CC(=C(C=C2)OC)OC)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H30N2O2.C2H2O4/c1-18-8-5-6-10-21(18)20(17-24)9-7-14-25(2)15-13-19-11-12-22(26-3)23(16-19)27-4;3-1(4)2(5)6/h5-6,8,10-12,16,20H,7,9,13-15H2,1-4H3;(H,3,4)(H,5,6)