[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-(2-methyl-1-piperidyl)-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-(2-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-keto-2-(2-methylpiperidino)ethyl] ester Formula: C17H22N4O3 MolecularWeight: 330.38158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCCCC3C)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCCCC3C)N=N1

InChI

InChI=1S/C17H22N4O3/c1-3-21-15-8-7-13(10-14(15)18-19-21)17(23)24-11-16(22)20-9-5-4-6-12(20)2/h7-8,10,12H,3-6,9,11H2,1-2H3