[2-oxidanylidene-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-[2-(4-isopropylphenyl)ethylamino]-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-keto-2-(2-p-cumenylethylamino)ethyl] ester Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NCCC3=CC=C(C=C3)C(C)C)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NCCC3=CC=C(C=C3)C(C)C)N=N1

InChI

InChI=1S/C22H26N4O3/c1-4-26-20-10-9-18(13-19(20)24-25-26)22(28)29-14-21(27)23-12-11-16-5-7-17(8-6-16)15(2)3/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,23,27)