(4-tert-butylphenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: (4-tert-butylphenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid (4-tert-butylbenzyl) ester Formula: C19H20N4O2 MolecularWeight: 336.3877

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=C(N=CC=C2)N3C=NC=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=C(N=CC=C2)N3C=NC=N3

InChI

InChI=1S/C19H20N4O2/c1-19(2,3)15-8-6-14(7-9-15)11-25-18(24)16-5-4-10-21-17(16)23-13-20-12-22-23/h4-10,12-13H,11H2,1-3H3