[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H23N5O4 MolecularWeight: 361.39562

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC(=O)NCCC(C)C)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC(=O)NCCC(C)C)N=N1

InChI

InChI=1S/C17H23N5O4/c1-4-22-14-6-5-12(9-13(14)20-21-22)16(24)26-10-15(23)19-17(25)18-8-7-11(2)3/h5-6,9,11H,4,7-8,10H2,1-3H3,(H2,18,19,23,25)