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

Systemtic Name: 3-[4-[(5-butanoyl-2-pentyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-2-carboxylic acid Openeye Name: 3-[4-[(5-butanoyl-2-pentyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-2-carboxylic acid CAS Name: 3-[4-[[5-(1-oxobutyl)-2-pentyl-1,2,4-triazol-3-yl]methyl]phenyl]-2-pyridinecarboxylic acid IUPAC Name: 3-[4-[(5-butanoyl-2-pentyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-2-carboxylic acid Traditional Name: 3-[4-[(2-amyl-5-butyryl-1,2,4-triazol-3-yl)methyl]phenyl]picolinic acid Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC(=N1)C(=O)CCC)CC2=CC=C(C=C2)C3=C(N=CC=C3)C(=O)O

Isomeric SMILES

CCCCCN1C(=NC(=N1)C(=O)CCC)CC2=CC=C(C=C2)C3=C(N=CC=C3)C(=O)O

InChI

InChI=1S/C24H28N4O3/c1-3-5-6-15-28-21(26-23(27-28)20(29)8-4-2)16-17-10-12-18(13-11-17)19-9-7-14-25-22(19)24(30)31/h7,9-14H,3-6,8,15-16H2,1-2H3,(H,30,31)