[(2R)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [(2R)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [(1R)-1-methyl-2-(4-methyl-1-piperidyl)-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [(2R)-1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [(1R)-2-keto-1-methyl-2-(4-methylpiperidino)ethyl] ester Formula: C18H24N4O3 MolecularWeight: 344.40816

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC(C)C(=O)N3CCC(CC3)C)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)O[C@H](C)C(=O)N3CCC(CC3)C)N=N1

InChI

InChI=1S/C18H24N4O3/c1-4-22-16-6-5-14(11-15(16)19-20-22)18(24)25-13(3)17(23)21-9-7-12(2)8-10-21/h5-6,11-13H,4,7-10H2,1-3H3/t13-/m1/s1