(4-propan-2-ylphenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: (4-propan-2-ylphenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: (4-isopropylphenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid (4-isopropylbenzyl) ester Formula: C18H18N4O2 MolecularWeight: 322.36112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O2/c1-13(2)15-7-5-14(6-8-15)10-24-18(23)16-4-3-9-20-17(16)22-12-19-11-21-22/h3-9,11-13H,10H2,1-2H3