(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C16H16N4O3/c1-11-15(12(2)23-19-11)8-22-16(21)14-5-3-13(4-6-14)7-20-10-17-9-18-20/h3-6,9-10H,7-8H2,1-2H3