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

Systemtic Name: 2-[5-[(5-butyl-3-propan-2-yl-1,2,4-triazol-1-yl)methyl]pyridin-2-yl]benzoic acid Openeye Name: 2-[5-[(5-butyl-3-isopropyl-1,2,4-triazol-1-yl)methyl]-2-pyridyl]benzoic acid CAS Name: 2-[5-[(5-butyl-3-propan-2-yl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]benzoic acid IUPAC Name: 2-[5-[(5-butyl-3-propan-2-yl-1,2,4-triazol-1-yl)methyl]pyridin-2-yl]benzoic acid Traditional Name: 2-[5-[(5-butyl-3-isopropyl-1,2,4-triazol-1-yl)methyl]-2-pyridyl]benzoic acid Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=CN=C(C=C2)C3=CC=CC=C3C(=O)O)C(C)C

Isomeric SMILES

CCCCC1=NC(=NN1CC2=CN=C(C=C2)C3=CC=CC=C3C(=O)O)C(C)C

InChI

InChI=1S/C22H26N4O2/c1-4-5-10-20-24-21(15(2)3)25-26(20)14-16-11-12-19(23-13-16)17-8-6-7-9-18(17)22(27)28/h6-9,11-13,15H,4-5,10,14H2,1-3H3,(H,27,28)