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

Systemtic Name: 2-[5-[(3-propan-2-yl-5-propyl-1,2,4-triazol-1-yl)methyl]pyridin-2-yl]benzoic acid Openeye Name: 2-[5-[(3-isopropyl-5-propyl-1,2,4-triazol-1-yl)methyl]-2-pyridyl]benzoic acid CAS Name: 2-[5-[(3-propan-2-yl-5-propyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]benzoic acid IUPAC Name: 2-[5-[(3-propan-2-yl-5-propyl-1,2,4-triazol-1-yl)methyl]pyridin-2-yl]benzoic acid Traditional Name: 2-[5-[(3-isopropyl-5-propyl-1,2,4-triazol-1-yl)methyl]-2-pyridyl]benzoic acid Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1CC2=CN=C(C=C2)C3=CC=CC=C3C(=O)O)C(C)C

Isomeric SMILES

CCCC1=NC(=NN1CC2=CN=C(C=C2)C3=CC=CC=C3C(=O)O)C(C)C

InChI

InChI=1S/C21H24N4O2/c1-4-7-19-23-20(14(2)3)24-25(19)13-15-10-11-18(22-12-15)16-8-5-6-9-17(16)21(26)27/h5-6,8-12,14H,4,7,13H2,1-3H3,(H,26,27)