2-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)-4-oxidanyl-2-piperidin-1-yl-butyl]tridecanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)-4-oxidanyl-2-piperidin-1-yl-butyl]tridecanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)-4-hydroxy-2-(1-piperidyl)butyl]tridecanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)-4-hydroxy-2-(1-piperidinyl)butyl]tridecanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)-4-hydroxy-2-piperidin-1-ylbutyl]tridecanenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)-4-hydroxy-2-piperidino-butyl]tridecanenitrile Formula: C36H53FN2O3 MolecularWeight: 580.816023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(CC(C1=CC=C(C=C1)F)O)N2CCCCC2)(C#N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCCCCCCCCC(CC(CC(C1=CC=C(C=C1)F)O)N2CCCCC2)(C#N)C3=CC(=C(C=C3)OC)OC

InChI

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