ethanedioic acid; 4-(1-methyl-3-phenyl-piperidin-4-yl)oxybenzenecarbonitrile

Systemtic Name: ethanedioic acid; 4-(1-methyl-3-phenyl-piperidin-4-yl)oxybenzenecarbonitrile Openeye Name: 4-[(1-methyl-3-phenyl-4-piperidyl)oxy]benzonitrile; oxalic acid CAS Name: 4-[(1-methyl-3-phenyl-4-piperidinyl)oxy]benzonitrile; oxalic acid IUPAC Name: 4-(1-methyl-3-phenylpiperidin-4-yl)oxybenzonitrile; oxalic acid Traditional Name: 4-[(1-methyl-3-phenyl-4-piperidyl)oxy]benzonitrile; oxalic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)C2=CC=CC=C2)OC3=CC=C(C=C3)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCC(C(C1)C2=CC=CC=C2)OC3=CC=C(C=C3)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H20N2O.C2H2O4/c1-21-12-11-19(18(14-21)16-5-3-2-4-6-16)22-17-9-7-15(13-20)8-10-17;3-1(4)2(5)6/h2-10,18-19H,11-12,14H2,1H3;(H,3,4)(H,5,6)