2-[6-(3,5-dimethoxyphenyl)-4-(methylamino)hexyl]-2-(3-ethoxyphenyl)heptadecanenitrile

Systemtic Name: 2-[6-(3,5-dimethoxyphenyl)-4-(methylamino)hexyl]-2-(3-ethoxyphenyl)heptadecanenitrile Openeye Name: 2-[6-(3,5-dimethoxyphenyl)-4-(methylamino)hexyl]-2-(3-ethoxyphenyl)heptadecanenitrile CAS Name: 2-[6-(3,5-dimethoxyphenyl)-4-(methylamino)hexyl]-2-(3-ethoxyphenyl)heptadecanenitrile IUPAC Name: 2-[6-(3,5-dimethoxyphenyl)-4-(methylamino)hexyl]-2-(3-ethoxyphenyl)heptadecanenitrile Traditional Name: 2-[6-(3,5-dimethoxyphenyl)-4-(methylamino)hexyl]-2-m-phenetyl-heptadecanenitrile Formula: C40H64N2O3 MolecularWeight: 620.94776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CCCC(CCC1=CC(=CC(=C1)OC)OC)NC)(C#N)C2=CC(=CC=C2)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(CCCC(CCC1=CC(=CC(=C1)OC)OC)NC)(C#N)C2=CC(=CC=C2)OCC

InChI

InChI=1S/C40H64N2O3/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-27-40(33-41,35-22-20-24-37(31-35)45-7-2)28-21-23-36(42-3)26-25-34-29-38(43-4)32-39(30-34)44-5/h20,22,24,29-32,36,42H,6-19,21,23,25-28H2,1-5H3