3-[3-(benzotriazol-2-yl)-5-(2-methylbutan-2-yl)-4-oxidanyl-phenyl]propanoic acid

Systemtic Name: 3-[3-(benzotriazol-2-yl)-5-(2-methylbutan-2-yl)-4-oxidanyl-phenyl]propanoic acid Openeye Name: 3-[3-(benzotriazol-2-yl)-5-(1,1-dimethylpropyl)-4-hydroxy-phenyl]propanoic acid CAS Name: 3-[3-(2-benzotriazolyl)-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid IUPAC Name: 3-[3-(benzotriazol-2-yl)-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid Traditional Name: 3-[3-tert-amyl-5-(benzotriazol-2-yl)-4-hydroxy-phenyl]propionic acid Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=C(C(=CC(=C1)CCC(=O)O)N2N=C3C=CC=CC3=N2)O

Isomeric SMILES

CCC(C)(C)C1=C(C(=CC(=C1)CCC(=O)O)N2N=C3C=CC=CC3=N2)O

InChI

InChI=1S/C20H23N3O3/c1-4-20(2,3)14-11-13(9-10-18(24)25)12-17(19(14)26)23-21-15-7-5-6-8-16(15)22-23/h5-8,11-12,26H,4,9-10H2,1-3H3,(H,24,25)