2-[(3,5-ditert-butyl-1,2,4-triazol-1-yl)methyl]-6-phenyl-benzoic acid

Systemtic Name: 2-[(3,5-ditert-butyl-1,2,4-triazol-1-yl)methyl]-6-phenyl-benzoic acid Openeye Name: 2-[(3,5-ditert-butyl-1,2,4-triazol-1-yl)methyl]-6-phenyl-benzoic acid CAS Name: 2-[(3,5-ditert-butyl-1,2,4-triazol-1-yl)methyl]-6-phenylbenzoic acid IUPAC Name: 2-[(3,5-ditert-butyl-1,2,4-triazol-1-yl)methyl]-6-phenylbenzoic acid Traditional Name: 2-[(3,5-ditert-butyl-1,2,4-triazol-1-yl)methyl]-6-phenyl-benzoic acid Formula: C24H29N3O2 MolecularWeight: 391.50596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=N1)C(C)(C)C)CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=N1)C(C)(C)C)CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3

InChI

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