3-hexyl-2-(3-methoxyphenyl)-2-[6-(3-methoxyphenyl)-4-(methylamino)hexyl]nonanenitrile

Systemtic Name: 3-hexyl-2-(3-methoxyphenyl)-2-[6-(3-methoxyphenyl)-4-(methylamino)hexyl]nonanenitrile Openeye Name: 3-hexyl-2-(3-methoxyphenyl)-2-[6-(3-methoxyphenyl)-4-(methylamino)hexyl]nonanenitrile CAS Name: 3-hexyl-2-(3-methoxyphenyl)-2-[6-(3-methoxyphenyl)-4-(methylamino)hexyl]nonanenitrile IUPAC Name: 3-hexyl-2-(3-methoxyphenyl)-2-[6-(3-methoxyphenyl)-4-(methylamino)hexyl]nonanenitrile Traditional Name: 3-hexyl-2-(3-methoxyphenyl)-2-[6-(3-methoxyphenyl)-4-(methylamino)hexyl]pelargononitrile Formula: C36H56N2O2 MolecularWeight: 548.84204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCC)C(CCCC(CCC1=CC(=CC=C1)OC)NC)(C#N)C2=CC(=CC=C2)OC

Isomeric SMILES

CCCCCCC(CCCCCC)C(CCCC(CCC1=CC(=CC=C1)OC)NC)(C#N)C2=CC(=CC=C2)OC

InChI

InChI=1S/C36H56N2O2/c1-6-8-10-12-18-31(19-13-11-9-7-2)36(29-37,32-20-15-23-35(28-32)40-5)26-16-21-33(38-3)25-24-30-17-14-22-34(27-30)39-4/h14-15,17,20,22-23,27-28,31,33,38H,6-13,16,18-19,21,24-26H2,1-5H3