2-(3,4-dimethoxyphenyl)-2-[3-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]propyl]tridecanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-2-[3-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]propyl]tridecanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-2-[3-[4-(4-fluorobenzoyl)-1-piperidyl]propyl]tridecanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-2-[3-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]propyl]tridecanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-2-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]tridecanenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-2-[3-[4-(4-fluorobenzoyl)piperidino]propyl]tridecanenitrile Formula: C36H51FN2O3 MolecularWeight: 578.800143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCN1CCC(CC1)C(=O)C2=CC=C(C=C2)F)(C#N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCCCCCCCCC(CCCN1CCC(CC1)C(=O)C2=CC=C(C=C2)F)(C#N)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C36H51FN2O3/c1-4-5-6-7-8-9-10-11-12-22-36(28-38,31-16-19-33(41-2)34(27-31)42-3)23-13-24-39-25-20-30(21-26-39)35(40)29-14-17-32(37)18-15-29/h14-19,27,30H,4-13,20-26H2,1-3H3