[2-oxidanylidene-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-keto-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] ester Formula: C23H28N4O4 MolecularWeight: 424.49282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NCCCOC3=CC(=CC(=C3C)C)C)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NCCCOC3=CC(=CC(=C3C)C)C)N=N1

InChI

InChI=1S/C23H28N4O4/c1-5-27-20-8-7-18(13-19(20)25-26-27)23(29)31-14-22(28)24-9-6-10-30-21-12-15(2)11-16(3)17(21)4/h7-8,11-13H,5-6,9-10,14H2,1-4H3,(H,24,28)