[(1R)-1-(4-fluorophenyl)ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [(1R)-1-(4-fluorophenyl)ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [(1R)-1-(4-fluorophenyl)ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [(1R)-1-(4-fluorophenyl)ethyl] ester IUPAC Name: [(1R)-1-(4-fluorophenyl)ethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [(1R)-1-(4-fluorophenyl)ethyl] ester Formula: C17H16FN3O2 MolecularWeight: 313.326243

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC(C)C3=CC=C(C=C3)F)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)O[C@H](C)C3=CC=C(C=C3)F)N=N1

InChI

InChI=1S/C17H16FN3O2/c1-3-21-16-9-6-13(10-15(16)19-20-21)17(22)23-11(2)12-4-7-14(18)8-5-12/h4-11H,3H2,1-2H3/t11-/m1/s1