4-[(2-butylimidazol-1-yl)methyl]benzenecarbonitrile; ethanedioic acid

Systemtic Name: 4-[(2-butylimidazol-1-yl)methyl]benzenecarbonitrile; ethanedioic acid Openeye Name: 4-[(2-butylimidazol-1-yl)methyl]benzonitrile; oxalic acid CAS Name: 4-[(2-butyl-1-imidazolyl)methyl]benzonitrile; oxalic acid IUPAC Name: 4-[(2-butylimidazol-1-yl)methyl]benzonitrile; oxalic acid Traditional Name: 4-[(2-butylimidazol-1-yl)methyl]benzonitrile; oxalic acid Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=CN1CC2=CC=C(C=C2)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCC1=NC=CN1CC2=CC=C(C=C2)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H17N3.C2H2O4/c1-2-3-4-15-17-9-10-18(15)12-14-7-5-13(11-16)6-8-14;3-1(4)2(5)6/h5-10H,2-4,12H2,1H3;(H,3,4)(H,5,6)