2-[4-[(5-tert-butyl-3-propanoyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(5-tert-butyl-3-propanoyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5-tert-butyl-3-propanoyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-tert-butyl-3-(1-oxopropyl)-1,2,4-triazol-1-yl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5-tert-butyl-3-propanoyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-tert-butyl-3-propionyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=NN(C(=N1)C(C)(C)C)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCC(=O)C1=NN(C(=N1)C(C)(C)C)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C23H25N3O3/c1-5-19(27)20-24-22(23(2,3)4)26(25-20)14-15-10-12-16(13-11-15)17-8-6-7-9-18(17)21(28)29/h6-13H,5,14H2,1-4H3,(H,28,29)