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

Systemtic Name: 3-[(5-butan-2-yl-2-butyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 3-[(2-butyl-5-sec-butyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid CAS Name: 3-[(5-butan-2-yl-2-butyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 3-[(5-butan-2-yl-2-butyl-1,2,4-triazol-3-yl)methyl]-2-phenylpyridine-4-carboxylic acid Traditional Name: 3-[(2-butyl-5-sec-butyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-isonicotinic acid Formula: C23H28N4O2 MolecularWeight: 392.49402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2/c1-4-6-14-27-20(25-22(26-27)16(3)5-2)15-19-18(23(28)29)12-13-24-21(19)17-10-8-7-9-11-17/h7-13,16H,4-6,14-15H2,1-3H3,(H,28,29)