ethanedioic acid; 2-(4-fluorophenyl)-2-[1-(3-phenoxypropyl)piperidin-4-yl]-2-pyridin-2-yl-ethanenitrile

Systemtic Name: ethanedioic acid; 2-(4-fluorophenyl)-2-[1-(3-phenoxypropyl)piperidin-4-yl]-2-pyridin-2-yl-ethanenitrile Openeye Name: 2-(4-fluorophenyl)-2-[1-(3-phenoxypropyl)-4-piperidyl]-2-(2-pyridyl)acetonitrile; oxalic acid CAS Name: 2-(4-fluorophenyl)-2-[1-(3-phenoxypropyl)-4-piperidinyl]-2-(2-pyridinyl)acetonitrile; oxalic acid IUPAC Name: 2-(4-fluorophenyl)-2-[1-(3-phenoxypropyl)piperidin-4-yl]-2-pyridin-2-ylacetonitrile; oxalic acid Traditional Name: 2-(4-fluorophenyl)-2-[1-(3-phenoxypropyl)-4-piperidyl]-2-(2-pyridyl)acetonitrile; oxalic acid Formula: C29H30FN3O5 MolecularWeight: 519.564003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(C#N)(C2=CC=C(C=C2)F)C3=CC=CC=N3)CCCOC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1C(C#N)(C2=CC=C(C=C2)F)C3=CC=CC=N3)CCCOC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H28FN3O.C2H2O4/c28-24-12-10-22(11-13-24)27(21-29,26-9-4-5-16-30-26)23-14-18-31(19-15-23)17-6-20-32-25-7-2-1-3-8-25;3-1(4)2(5)6/h1-5,7-13,16,23H,6,14-15,17-20H2;(H,3,4)(H,5,6)