3-cyclopropyl-5-[1-(4-phenoxybutyl)-4-phenyl-piperidin-4-yl]-1,2,4-oxadiazole; ethanedioic acid

Systemtic Name: 3-cyclopropyl-5-[1-(4-phenoxybutyl)-4-phenyl-piperidin-4-yl]-1,2,4-oxadiazole; ethanedioic acid Openeye Name: 3-cyclopropyl-5-[1-(4-phenoxybutyl)-4-phenyl-4-piperidyl]-1,2,4-oxadiazole; oxalic acid CAS Name: 3-cyclopropyl-5-[1-(4-phenoxybutyl)-4-phenyl-4-piperidinyl]-1,2,4-oxadiazole; oxalic acid IUPAC Name: 3-cyclopropyl-5-[1-(4-phenoxybutyl)-4-phenylpiperidin-4-yl]-1,2,4-oxadiazole; oxalic acid Traditional Name: 3-cyclopropyl-5-[1-(4-phenoxybutyl)-4-phenyl-4-piperidyl]-1,2,4-oxadiazole; oxalic acid Formula: C28H33N3O6 MolecularWeight: 507.57812

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NOC(=N2)C3(CCN(CC3)CCCCOC4=CC=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC1C2=NOC(=N2)C3(CCN(CC3)CCCCOC4=CC=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H31N3O2.C2H2O4/c1-3-9-22(10-4-1)26(25-27-24(28-31-25)21-13-14-21)15-18-29(19-16-26)17-7-8-20-30-23-11-5-2-6-12-23;3-1(4)2(5)6/h1-6,9-12,21H,7-8,13-20H2;(H,3,4)(H,5,6)