[(3R)-3-(1,2,4-triazol-1-yl)butyl] 4-methylbenzoate

Systemtic Name: [(3R)-3-(1,2,4-triazol-1-yl)butyl] 4-methylbenzoate Openeye Name: [(3R)-3-(1,2,4-triazol-1-yl)butyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(3R)-3-(1,2,4-triazol-1-yl)butyl] ester IUPAC Name: [(3R)-3-(1,2,4-triazol-1-yl)butyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(3R)-3-(1,2,4-triazol-1-yl)butyl] ester Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCCC(C)N2C=NC=N2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC[C@@H](C)N2C=NC=N2

InChI

InChI=1S/C14H17N3O2/c1-11-3-5-13(6-4-11)14(18)19-8-7-12(2)17-10-15-9-16-17/h3-6,9-10,12H,7-8H2,1-2H3/t12-/m1/s1