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

Systemtic Name: 3-[[5-(2-methylpropyl)-2-propyl-1,2,4-triazol-3-yl]methyl]-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 3-[(5-isobutyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid CAS Name: 3-[[5-(2-methylpropyl)-2-propyl-1,2,4-triazol-3-yl]methyl]-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 3-[[5-(2-methylpropyl)-2-propyl-1,2,4-triazol-3-yl]methyl]-2-phenylpyridine-4-carboxylic acid Traditional Name: 3-[(5-isobutyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-isonicotinic acid Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC(=N1)CC(C)C)CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCN1C(=NC(=N1)CC(C)C)CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H26N4O2/c1-4-12-26-20(24-19(25-26)13-15(2)3)14-18-17(22(27)28)10-11-23-21(18)16-8-6-5-7-9-16/h5-11,15H,4,12-14H2,1-3H3,(H,27,28)