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

Systemtic Name: 3-[[5-(3-methylbutyl)-2-pentyl-1,2,4-triazol-3-yl]methyl]-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 3-[(5-isopentyl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-4-carboxylic acid CAS Name: 3-[[5-(3-methylbutyl)-2-pentyl-1,2,4-triazol-3-yl]methyl]-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 3-[[5-(3-methylbutyl)-2-pentyl-1,2,4-triazol-3-yl]methyl]-2-phenylpyridine-4-carboxylic acid Traditional Name: 3-[(2-amyl-5-isoamyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-isonicotinic acid Formula: C25H32N4O2 MolecularWeight: 420.54718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O2/c1-4-5-9-16-29-23(27-22(28-29)13-12-18(2)3)17-21-20(25(30)31)14-15-26-24(21)19-10-7-6-8-11-19/h6-8,10-11,14-15,18H,4-5,9,12-13,16-17H2,1-3H3,(H,30,31)