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

Systemtic Name: 2-[4-[(5-tert-butyl-3-pentanoyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5-tert-butyl-3-pentanoyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-tert-butyl-3-(1-oxopentyl)-1,2,4-triazol-1-yl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5-tert-butyl-3-pentanoyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-tert-butyl-3-valeryl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3/c1-5-6-11-21(29)22-26-24(25(2,3)4)28(27-22)16-17-12-14-18(15-13-17)19-9-7-8-10-20(19)23(30)31/h7-10,12-15H,5-6,11,16H2,1-4H3,(H,30,31)