methyl 4-[[2-butyl-5-(deuteriomethyl)imidazol-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[2-butyl-5-(deuteriomethyl)imidazol-1-yl]methyl]benzoate Openeye Name: methyl 4-[[2-butyl-5-(deuteriomethyl)imidazol-1-yl]methyl]benzoate CAS Name: 4-[[2-butyl-5-(deuteriomethyl)-1-imidazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-butyl-5-(deuteriomethyl)imidazol-1-yl]methyl]benzoate Traditional Name: 4-[[2-butyl-5-(deuteriomethyl)imidazol-1-yl]methyl]benzoic acid methyl ester Formula: C17H22N2O2 MolecularWeight: 287.374942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

[2H]CC1=CN=C(N1CC2=CC=C(C=C2)C(=O)OC)CCCC

InChI

InChI=1S/C17H22N2O2/c1-4-5-6-16-18-11-13(2)19(16)12-14-7-9-15(10-8-14)17(20)21-3/h7-11H,4-6,12H2,1-3H3/i2D