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

Systemtic Name: 2-[5-[(5-butan-2-yl-2-pentyl-1,2,4-triazol-3-yl)methyl]pyridin-2-yl]benzoic acid Openeye Name: 2-[5-[(2-pentyl-5-sec-butyl-1,2,4-triazol-3-yl)methyl]-2-pyridyl]benzoic acid CAS Name: 2-[5-[(5-butan-2-yl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-pyridinyl]benzoic acid IUPAC Name: 2-[5-[(5-butan-2-yl-2-pentyl-1,2,4-triazol-3-yl)methyl]pyridin-2-yl]benzoic acid Traditional Name: 2-[5-[(2-amyl-5-sec-butyl-1,2,4-triazol-3-yl)methyl]-2-pyridyl]benzoic acid Formula: C24H30N4O2 MolecularWeight: 406.5206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC(=N1)C(C)CC)CC2=CN=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCCN1C(=NC(=N1)C(C)CC)CC2=CN=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C24H30N4O2/c1-4-6-9-14-28-22(26-23(27-28)17(3)5-2)15-18-12-13-21(25-16-18)19-10-7-8-11-20(19)24(29)30/h7-8,10-13,16-17H,4-6,9,14-15H2,1-3H3,(H,29,30)