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

Systemtic Name: 2-[4-[(3-butan-2-yl-5-tert-butyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5-tert-butyl-3-sec-butyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(3-butan-2-yl-5-tert-butyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(3-butan-2-yl-5-tert-butyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-tert-butyl-3-sec-butyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Formula: C24H29N3O2 MolecularWeight: 391.50596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O2/c1-6-16(2)21-25-23(24(3,4)5)27(26-21)15-17-11-13-18(14-12-17)19-9-7-8-10-20(19)22(28)29/h7-14,16H,6,15H2,1-5H3,(H,28,29)