N'-[[3-(5-chloranylbenzotriazol-2-yl)-5-(2-methylbutan-2-yl)-2-oxidanyl-phenyl]methyl]-N-hexadecyl-ethanediamide

Systemtic Name: N'-[[3-(5-chloranylbenzotriazol-2-yl)-5-(2-methylbutan-2-yl)-2-oxidanyl-phenyl]methyl]-N-hexadecyl-ethanediamide Openeye Name: N'-[[3-(5-chlorobenzotriazol-2-yl)-5-(1,1-dimethylpropyl)-2-hydroxy-phenyl]methyl]-N-hexadecyl-oxamide CAS Name: N'-[[3-(5-chloro-2-benzotriazolyl)-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-hexadecyloxamide IUPAC Name: N'-[[3-(5-chlorobenzotriazol-2-yl)-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-hexadecyloxamide Traditional Name: N'-[5-tert-amyl-3-(5-chlorobenzotriazol-2-yl)-2-hydroxy-benzyl]-N-cetyl-oxamide Formula: C36H54ClN5O3 MolecularWeight: 640.29866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)C(=O)NCC1=C(C(=CC(=C1)C(C)(C)CC)N2N=C3C=CC(=CC3=N2)Cl)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)C(=O)NCC1=C(C(=CC(=C1)C(C)(C)CC)N2N=C3C=CC(=CC3=N2)Cl)O

InChI

InChI=1S/C36H54ClN5O3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-22-38-34(44)35(45)39-26-27-23-28(36(3,4)6-2)24-32(33(27)43)42-40-30-21-20-29(37)25-31(30)41-42/h20-21,23-25,43H,5-19,22,26H2,1-4H3,(H,38,44)(H,39,45)