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

Systemtic Name: 2-[6-(3,5-diethoxyphenyl)-4-(methylamino)hexyl]-2-(3-ethoxyphenyl)heptadecanenitrile Openeye Name: 2-[6-(3,5-diethoxyphenyl)-4-(methylamino)hexyl]-2-(3-ethoxyphenyl)heptadecanenitrile CAS Name: 2-[6-(3,5-diethoxyphenyl)-4-(methylamino)hexyl]-2-(3-ethoxyphenyl)heptadecanenitrile IUPAC Name: 2-[6-(3,5-diethoxyphenyl)-4-(methylamino)hexyl]-2-(3-ethoxyphenyl)heptadecanenitrile Traditional Name: 2-[6-(3,5-diethoxyphenyl)-4-(methylamino)hexyl]-2-m-phenetyl-heptadecanenitrile Formula: C42H68N2O3 MolecularWeight: 649.00092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H68N2O3/c1-6-10-11-12-13-14-15-16-17-18-19-20-21-29-42(35-43,37-24-22-26-39(33-37)45-7-2)30-23-25-38(44-5)28-27-36-31-40(46-8-3)34-41(32-36)47-9-4/h22,24,26,31-34,38,44H,6-21,23,25,27-30H2,1-5H3