phenacyl (3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)butanoate

Systemtic Name: phenacyl (3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)butanoate Openeye Name: phenacyl (3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)butanoate CAS Name: (3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)butanoic acid phenacyl ester IUPAC Name: phenacyl (3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)butanoate Traditional Name: (3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)butyric acid phenacyl ester Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=N1)C)C(C)CC(=O)OCC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=N1)C)[C@H](C)CC(=O)OCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H19N3O3/c1-11(19-13(3)17-12(2)18-19)9-16(21)22-10-15(20)14-7-5-4-6-8-14/h4-8,11H,9-10H2,1-3H3/t11-/m1/s1