2-[5-[(3-methyl-5-propyl-1,2,4-triazol-1-yl)methyl]pyridin-2-yl]benzoic acid

Systemtic Name: 2-[5-[(3-methyl-5-propyl-1,2,4-triazol-1-yl)methyl]pyridin-2-yl]benzoic acid Openeye Name: 2-[5-[(3-methyl-5-propyl-1,2,4-triazol-1-yl)methyl]-2-pyridyl]benzoic acid CAS Name: 2-[5-[(3-methyl-5-propyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]benzoic acid IUPAC Name: 2-[5-[(3-methyl-5-propyl-1,2,4-triazol-1-yl)methyl]pyridin-2-yl]benzoic acid Traditional Name: 2-[5-[(3-methyl-5-propyl-1,2,4-triazol-1-yl)methyl]-2-pyridyl]benzoic acid Formula: C19H20N4O2 MolecularWeight: 336.3877

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1CC2=CN=C(C=C2)C3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CCCC1=NC(=NN1CC2=CN=C(C=C2)C3=CC=CC=C3C(=O)O)C

InChI

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