[2-oxidanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-oxo-2-(tetralin-1-ylamino)ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-keto-2-(tetralin-1-ylamino)ethyl] ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC3CCCC4=CC=CC=C34)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC3CCCC4=CC=CC=C34)N=N1

InChI

InChI=1S/C21H22N4O3/c1-2-25-19-11-10-15(12-18(19)23-24-25)21(27)28-13-20(26)22-17-9-5-7-14-6-3-4-8-16(14)17/h3-4,6,8,10-12,17H,2,5,7,9,13H2,1H3,(H,22,26)