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

Systemtic Name: 3-[(5-butan-2-yl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 3-[(2-pentyl-5-sec-butyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid CAS Name: 3-[(5-butan-2-yl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 3-[(5-butan-2-yl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyridine-4-carboxylic acid Traditional Name: 3-[(2-amyl-5-sec-butyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-isonicotinic acid Formula: C24H30N4O2 MolecularWeight: 406.5206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC(=N1)C(C)CC)CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCN1C(=NC(=N1)C(C)CC)CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H30N4O2/c1-4-6-10-15-28-21(26-23(27-28)17(3)5-2)16-20-19(24(29)30)13-14-25-22(20)18-11-8-7-9-12-18/h7-9,11-14,17H,4-6,10,15-16H2,1-3H3,(H,29,30)