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

Systemtic Name: 5-[5-(1,1-dimethoxypropyl)-2-pentyl-1,2,4-triazol-3-yl]-4-methyl-3-phenyl-pyridine-2-carboxylic acid Openeye Name: 5-[5-(1,1-dimethoxypropyl)-2-pentyl-1,2,4-triazol-3-yl]-4-methyl-3-phenyl-pyridine-2-carboxylic acid CAS Name: 5-[5-(1,1-dimethoxypropyl)-2-pentyl-1,2,4-triazol-3-yl]-4-methyl-3-phenyl-2-pyridinecarboxylic acid IUPAC Name: 5-[5-(1,1-dimethoxypropyl)-2-pentyl-1,2,4-triazol-3-yl]-4-methyl-3-phenylpyridine-2-carboxylic acid Traditional Name: 5-[2-amyl-5-(1,1-dimethoxypropyl)-1,2,4-triazol-3-yl]-4-methyl-3-phenyl-picolinic acid Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC(=N1)C(CC)(OC)OC)C2=CN=C(C(=C2C)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCN1C(=NC(=N1)C(CC)(OC)OC)C2=CN=C(C(=C2C)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H32N4O4/c1-6-8-12-15-29-22(27-24(28-29)25(7-2,32-4)33-5)19-16-26-21(23(30)31)20(17(19)3)18-13-10-9-11-14-18/h9-11,13-14,16H,6-8,12,15H2,1-5H3,(H,30,31)