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

Systemtic Name: 2-(3-ethoxyphenyl)-2-[6-(3-ethoxyphenyl)-4-(methylamino)hexyl]heptadecanenitrile Openeye Name: 2-(3-ethoxyphenyl)-2-[6-(3-ethoxyphenyl)-4-(methylamino)hexyl]heptadecanenitrile CAS Name: 2-(3-ethoxyphenyl)-2-[6-(3-ethoxyphenyl)-4-(methylamino)hexyl]heptadecanenitrile IUPAC Name: 2-(3-ethoxyphenyl)-2-[6-(3-ethoxyphenyl)-4-(methylamino)hexyl]heptadecanenitrile Traditional Name: 2-[4-(methylamino)-6-m-phenetyl-hexyl]-2-m-phenetyl-heptadecanenitrile Formula: C40H64N2O2 MolecularWeight: 604.94836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H64N2O2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-30-40(34-41,36-24-21-27-39(33-36)44-7-3)31-22-25-37(42-4)29-28-35-23-20-26-38(32-35)43-6-2/h20-21,23-24,26-27,32-33,37,42H,5-19,22,25,28-31H2,1-4H3