2-(3,4-dimethoxyphenyl)-16-[4-[(4-fluorophenyl)-oxidanyl-methyl]piperidin-1-yl]hexadecanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-16-[4-[(4-fluorophenyl)-oxidanyl-methyl]piperidin-1-yl]hexadecanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-16-[4-[(4-fluorophenyl)-hydroxy-methyl]-1-piperidyl]hexadecanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-16-[4-[(4-fluorophenyl)-hydroxymethyl]-1-piperidinyl]hexadecanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-16-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]hexadecanenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-16-[4-[(4-fluorophenyl)-hydroxy-methyl]piperidino]palmitonitrile Formula: C36H53FN2O3 MolecularWeight: 580.816023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCCCCCCCCCCCCCN2CCC(CC2)C(C3=CC=C(C=C3)F)O)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CCCCCCCCCCCCCCN2CCC(CC2)C(C3=CC=C(C=C3)F)O)C#N)OC

InChI

InChI=1S/C36H53FN2O3/c1-41-34-21-18-31(27-35(34)42-2)32(28-38)15-13-11-9-7-5-3-4-6-8-10-12-14-24-39-25-22-30(23-26-39)36(40)29-16-19-33(37)20-17-29/h16-21,27,30,32,36,40H,3-15,22-26H2,1-2H3