2-[5-[(3-pentanoyl-5-propyl-1,2,4-triazol-1-yl)methyl]pyridin-2-yl]benzoic acid

Systemtic Name: 2-[5-[(3-pentanoyl-5-propyl-1,2,4-triazol-1-yl)methyl]pyridin-2-yl]benzoic acid Openeye Name: 2-[5-[(3-pentanoyl-5-propyl-1,2,4-triazol-1-yl)methyl]-2-pyridyl]benzoic acid CAS Name: 2-[5-[[3-(1-oxopentyl)-5-propyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]benzoic acid IUPAC Name: 2-[5-[(3-pentanoyl-5-propyl-1,2,4-triazol-1-yl)methyl]pyridin-2-yl]benzoic acid Traditional Name: 2-[5-[(5-propyl-3-valeryl-1,2,4-triazol-1-yl)methyl]-2-pyridyl]benzoic acid Formula: C23H26N4O3 MolecularWeight: 406.47754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=NN(C(=N1)CCC)CC2=CN=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCC(=O)C1=NN(C(=N1)CCC)CC2=CN=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C23H26N4O3/c1-3-5-11-20(28)22-25-21(8-4-2)27(26-22)15-16-12-13-19(24-14-16)17-9-6-7-10-18(17)23(29)30/h6-7,9-10,12-14H,3-5,8,11,15H2,1-2H3,(H,29,30)