3-[4-acetyloxy-3-(benzotriazol-2-yl)-5-tert-butyl-phenyl]propanoic acid

Systemtic Name: 3-[4-acetyloxy-3-(benzotriazol-2-yl)-5-tert-butyl-phenyl]propanoic acid Openeye Name: 3-[4-acetoxy-3-(benzotriazol-2-yl)-5-tert-butyl-phenyl]propanoic acid CAS Name: 3-[4-acetyloxy-3-(2-benzotriazolyl)-5-tert-butylphenyl]propanoic acid IUPAC Name: 3-[4-acetyloxy-3-(benzotriazol-2-yl)-5-tert-butylphenyl]propanoic acid Traditional Name: 3-[4-acetoxy-3-(benzotriazol-2-yl)-5-tert-butyl-phenyl]propionic acid Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1N2N=C3C=CC=CC3=N2)CCC(=O)O)C(C)(C)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1N2N=C3C=CC=CC3=N2)CCC(=O)O)C(C)(C)C

InChI

InChI=1S/C21H23N3O4/c1-13(25)28-20-15(21(2,3)4)11-14(9-10-19(26)27)12-18(20)24-22-16-7-5-6-8-17(16)23-24/h5-8,11-12H,9-10H2,1-4H3,(H,26,27)