3-[3-tert-butyl-5-(5-chloranyl-2,3-dihydrobenzotriazol-1-yl)-4-oxidanyl-phenyl]propanoic acid

Systemtic Name: 3-[3-tert-butyl-5-(5-chloranyl-2,3-dihydrobenzotriazol-1-yl)-4-oxidanyl-phenyl]propanoic acid Openeye Name: 3-[3-tert-butyl-5-(5-chloro-2,3-dihydrobenzotriazol-1-yl)-4-hydroxy-phenyl]propanoic acid CAS Name: 3-[3-tert-butyl-5-(5-chloro-2,3-dihydrobenzotriazol-1-yl)-4-hydroxyphenyl]propanoic acid IUPAC Name: 3-[3-tert-butyl-5-(5-chloro-2,3-dihydrobenzotriazol-1-yl)-4-hydroxyphenyl]propanoic acid Traditional Name: 3-[3-tert-butyl-5-(5-chloro-2,3-dihydrobenzotriazol-1-yl)-4-hydroxy-phenyl]propionic acid Formula: C19H22ClN3O3 MolecularWeight: 375.84928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)O)N2C3=C(C=C(C=C3)Cl)NN2)O

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)O)N2C3=C(C=C(C=C3)Cl)NN2)O

InChI

InChI=1S/C19H22ClN3O3/c1-19(2,3)13-8-11(4-7-17(24)25)9-16(18(13)26)23-15-6-5-12(20)10-14(15)21-22-23/h5-6,8-10,21-22,26H,4,7H2,1-3H3,(H,24,25)