[(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [(1R)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [(1R)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H24N4O3 MolecularWeight: 344.40816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3CCCCC3)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)O[C@H](C)C(=O)NC3CCCCC3)N=N1

InChI

InChI=1S/C18H24N4O3/c1-3-22-16-10-9-13(11-15(16)20-21-22)18(24)25-12(2)17(23)19-14-7-5-4-6-8-14/h9-12,14H,3-8H2,1-2H3,(H,19,23)/t12-/m1/s1