methyl (1E)-N-[5-hexyl-3-(phenylmethyl)imidazol-4-yl]methanimidate

Systemtic Name: methyl (1E)-N-[5-hexyl-3-(phenylmethyl)imidazol-4-yl]methanimidate Openeye Name: methyl (1E)-N-(3-benzyl-5-hexyl-imidazol-4-yl)methanimidate CAS Name: (1E)-N-[5-hexyl-3-(phenylmethyl)-4-imidazolyl]methanimidic acid methyl ester IUPAC Name: methyl (1E)-N-(3-benzyl-5-hexylimidazol-4-yl)methanimidate Traditional Name: (1E)-N-(3-benzyl-5-hexyl-imidazol-4-yl)formimidic acid methyl ester Formula: C18H25N3O MolecularWeight: 299.4106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N(C=N1)CC2=CC=CC=C2)N=COC

Isomeric SMILES

CCCCCCC1=C(N(C=N1)CC2=CC=CC=C2)/N=C/OC

InChI

InChI=1S/C18H25N3O/c1-3-4-5-9-12-17-18(20-15-22-2)21(14-19-17)13-16-10-7-6-8-11-16/h6-8,10-11,14-15H,3-5,9,12-13H2,1-2H3/b20-15+