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

Systemtic Name: ethanedioic acid; 3-[(2-methoxyphenyl)methyl]-5-(1-methyl-4-phenyl-piperidin-4-yl)-1,2,4-oxadiazole Openeye Name: 3-[(2-methoxyphenyl)methyl]-5-(1-methyl-4-phenyl-4-piperidyl)-1,2,4-oxadiazole; oxalic acid CAS Name: 3-[(2-methoxyphenyl)methyl]-5-(1-methyl-4-phenyl-4-piperidinyl)-1,2,4-oxadiazole; oxalic acid IUPAC Name: 3-[(2-methoxyphenyl)methyl]-5-(1-methyl-4-phenylpiperidin-4-yl)-1,2,4-oxadiazole; oxalic acid Traditional Name: 5-(1-methyl-4-phenyl-4-piperidyl)-3-o-anisyl-1,2,4-oxadiazole; oxalic acid Formula: C24H27N3O6 MolecularWeight: 453.48768

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(C2=CC=CC=C2)C3=NC(=NO3)CC4=CC=CC=C4OC.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCC(CC1)(C2=CC=CC=C2)C3=NC(=NO3)CC4=CC=CC=C4OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H25N3O2.C2H2O4/c1-25-14-12-22(13-15-25,18-9-4-3-5-10-18)21-23-20(24-27-21)16-17-8-6-7-11-19(17)26-2;3-1(4)2(5)6/h3-11H,12-16H2,1-2H3;(H,3,4)(H,5,6)