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

Systemtic Name: 3-[4-[(5-butanoyl-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-2-carboxylic acid Openeye Name: 3-[4-[(5-butanoyl-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-2-carboxylic acid CAS Name: 3-[4-[[5-(1-oxobutyl)-2-propyl-1,2,4-triazol-3-yl]methyl]phenyl]-2-pyridinecarboxylic acid IUPAC Name: 3-[4-[(5-butanoyl-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-2-carboxylic acid Traditional Name: 3-[4-[(5-butyryl-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]picolinic acid Formula: C22H24N4O3 MolecularWeight: 392.45096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=NN(C(=N1)CC2=CC=C(C=C2)C3=C(N=CC=C3)C(=O)O)CCC

Isomeric SMILES

CCCC(=O)C1=NN(C(=N1)CC2=CC=C(C=C2)C3=C(N=CC=C3)C(=O)O)CCC

InChI

InChI=1S/C22H24N4O3/c1-3-6-18(27)21-24-19(26(25-21)13-4-2)14-15-8-10-16(11-9-15)17-7-5-12-23-20(17)22(28)29/h5,7-12H,3-4,6,13-14H2,1-2H3,(H,28,29)