5-[3-(benzotriazol-2-yl)-5-ethyl-4-oxidanyl-phenyl]-5-methyl-hexanoic acid

Systemtic Name: 5-[3-(benzotriazol-2-yl)-5-ethyl-4-oxidanyl-phenyl]-5-methyl-hexanoic acid Openeye Name: 5-[3-(benzotriazol-2-yl)-5-ethyl-4-hydroxy-phenyl]-5-methyl-hexanoic acid CAS Name: 5-[3-(2-benzotriazolyl)-5-ethyl-4-hydroxyphenyl]-5-methylhexanoic acid IUPAC Name: 5-[3-(benzotriazol-2-yl)-5-ethyl-4-hydroxyphenyl]-5-methylhexanoic acid Traditional Name: 5-[3-(benzotriazol-2-yl)-5-ethyl-4-hydroxy-phenyl]-5-methyl-hexanoic acid Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)C(C)(C)CCCC(=O)O)N2N=C3C=CC=CC3=N2)O

Isomeric SMILES

CCC1=C(C(=CC(=C1)C(C)(C)CCCC(=O)O)N2N=C3C=CC=CC3=N2)O

InChI

InChI=1S/C21H25N3O3/c1-4-14-12-15(21(2,3)11-7-10-19(25)26)13-18(20(14)27)24-22-16-8-5-6-9-17(16)23-24/h5-6,8-9,12-13,27H,4,7,10-11H2,1-3H3,(H,25,26)