3-[(2-butyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid

Systemtic Name: 3-[(2-butyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 3-[(2-butyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid CAS Name: 3-[(2-butyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 3-[(2-butyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyridine-4-carboxylic acid Traditional Name: 3-[(2-butyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-isonicotinic acid Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC(=N1)C)CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCN1C(=NC(=N1)C)CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H22N4O2/c1-3-4-12-24-18(22-14(2)23-24)13-17-16(20(25)26)10-11-21-19(17)15-8-6-5-7-9-15/h5-11H,3-4,12-13H2,1-2H3,(H,25,26)