2-(3,4-dimethoxyphenyl)-7-[4-[(4-fluorophenyl)-oxidanyl-methyl]piperidin-1-yl]-2-propyl-hexadecanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-7-[4-[(4-fluorophenyl)-oxidanyl-methyl]piperidin-1-yl]-2-propyl-hexadecanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-7-[4-[(4-fluorophenyl)-hydroxy-methyl]-1-piperidyl]-2-propyl-hexadecanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-7-[4-[(4-fluorophenyl)-hydroxymethyl]-1-piperidinyl]-2-propylhexadecanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-7-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-propylhexadecanenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-7-[4-[(4-fluorophenyl)-hydroxy-methyl]piperidino]-2-propyl-palmitonitrile Formula: C39H59FN2O3 MolecularWeight: 622.895763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCC(CCC)(C#N)C1=CC(=C(C=C1)OC)OC)N2CCC(CC2)C(C3=CC=C(C=C3)F)O

Isomeric SMILES

CCCCCCCCCC(CCCCC(CCC)(C#N)C1=CC(=C(C=C1)OC)OC)N2CCC(CC2)C(C3=CC=C(C=C3)F)O

InChI

InChI=1S/C39H59FN2O3/c1-5-7-8-9-10-11-12-15-35(42-27-23-32(24-28-42)38(43)31-17-20-34(40)21-18-31)16-13-14-26-39(30-41,25-6-2)33-19-22-36(44-3)37(29-33)45-4/h17-22,29,32,35,38,43H,5-16,23-28H2,1-4H3