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

Systemtic Name: 3-[4-[(5-pentyl-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-2-carboxylic acid Openeye Name: 3-[4-[(5-pentyl-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-2-carboxylic acid CAS Name: 3-[4-[(5-pentyl-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]-2-pyridinecarboxylic acid IUPAC Name: 3-[4-[(5-pentyl-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-2-carboxylic acid Traditional Name: 3-[4-[(5-amyl-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]picolinic acid Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN(C(=N1)CC2=CC=C(C=C2)C3=C(N=CC=C3)C(=O)O)CCC

Isomeric SMILES

CCCCCC1=NN(C(=N1)CC2=CC=C(C=C2)C3=C(N=CC=C3)C(=O)O)CCC

InChI

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