5-[3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidin-1-yl]pentanenitrile; ethanedioic acid

Systemtic Name: 5-[3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidin-1-yl]pentanenitrile; ethanedioic acid Openeye Name: 5-[3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-piperidyl]pentanenitrile; oxalic acid CAS Name: 5-[3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-piperidinyl]pentanenitrile; oxalic acid IUPAC Name: 5-[3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidin-1-yl]pentanenitrile; oxalic acid Traditional Name: 5-[3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidino]valeronitrile; oxalic acid Formula: C26H29FN2O7 MolecularWeight: 500.516063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4)CCCCC#N.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4)CCCCC#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H27FN2O3.C2H2O4/c25-20-6-4-18(5-7-20)22-10-13-27(12-3-1-2-11-26)15-19(22)16-28-21-8-9-23-24(14-21)30-17-29-23;3-1(4)2(5)6/h4-9,14,19,22H,1-3,10,12-13,15-17H2;(H,3,4)(H,5,6)