2-(4-bromophenyl)-2-[6-(3,4-dimethoxyphenyl)-4-(methylamino)hexyl]pentadecanenitrile

Systemtic Name: 2-(4-bromophenyl)-2-[6-(3,4-dimethoxyphenyl)-4-(methylamino)hexyl]pentadecanenitrile Openeye Name: 2-(4-bromophenyl)-2-[6-(3,4-dimethoxyphenyl)-4-(methylamino)hexyl]pentadecanenitrile CAS Name: 2-(4-bromophenyl)-2-[6-(3,4-dimethoxyphenyl)-4-(methylamino)hexyl]pentadecanenitrile IUPAC Name: 2-(4-bromophenyl)-2-[6-(3,4-dimethoxyphenyl)-4-(methylamino)hexyl]pentadecanenitrile Traditional Name: 2-(4-bromophenyl)-2-[6-(3,4-dimethoxyphenyl)-4-(methylamino)hexyl]pentadecanenitrile Formula: C36H55BrN2O2 MolecularWeight: 627.7381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CCCC(CCC1=CC(=C(C=C1)OC)OC)NC)(C#N)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCCCCCCCCCCCC(CCCC(CCC1=CC(=C(C=C1)OC)OC)NC)(C#N)C2=CC=C(C=C2)Br

InChI

InChI=1S/C36H55BrN2O2/c1-5-6-7-8-9-10-11-12-13-14-15-26-36(29-38,31-20-22-32(37)23-21-31)27-16-17-33(39-2)24-18-30-19-25-34(40-3)35(28-30)41-4/h19-23,25,28,33,39H,5-18,24,26-27H2,1-4H3