ethyl 1-(1-ethylbenzotriazol-5-yl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-(1-ethylbenzotriazol-5-yl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-(1-ethylbenzotriazole-5-carbonyl)piperidine-3-carboxylate CAS Name: 1-[(1-ethyl-5-benzotriazolyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-ethylbenzotriazole-5-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(1-ethylbenzotriazole-5-carbonyl)nipecotic acid ethyl ester Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CCCC(C3)C(=O)OCC)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CCCC(C3)C(=O)OCC)N=N1

InChI

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