(2R)-2-[5-(4-methylphenyl)-1-phenyl-1,2,4-triazol-3-yl]hexanoate

Systemtic Name: (2R)-2-[5-(4-methylphenyl)-1-phenyl-1,2,4-triazol-3-yl]hexanoate Openeye Name: (2R)-2-[1-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]hexanoate CAS Name: (2R)-2-[5-(4-methylphenyl)-1-phenyl-1,2,4-triazol-3-yl]hexanoate IUPAC Name: (2R)-2-[5-(4-methylphenyl)-1-phenyl-1,2,4-triazol-3-yl]hexanoate Traditional Name: (2R)-2-[1-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]hexanoate Formula: C21H22N3O2- MolecularWeight: 348.41828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=NN(C(=N1)C2=CC=C(C=C2)C)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCCC[C@H](C1=NN(C(=N1)C2=CC=C(C=C2)C)C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C21H23N3O2/c1-3-4-10-18(21(25)26)19-22-20(16-13-11-15(2)12-14-16)24(23-19)17-8-6-5-7-9-17/h5-9,11-14,18H,3-4,10H2,1-2H3,(H,25,26)/p-1/t18-/m1/s1