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

Systemtic Name: 4-[(2,5-dibutyl-1,2,4-triazol-3-yl)methyl]-3-phenyl-pyridine-2-carboxylic acid Openeye Name: 4-[(2,5-dibutyl-1,2,4-triazol-3-yl)methyl]-3-phenyl-pyridine-2-carboxylic acid CAS Name: 4-[(2,5-dibutyl-1,2,4-triazol-3-yl)methyl]-3-phenyl-2-pyridinecarboxylic acid IUPAC Name: 4-[(2,5-dibutyl-1,2,4-triazol-3-yl)methyl]-3-phenylpyridine-2-carboxylic acid Traditional Name: 4-[(2,5-dibutyl-1,2,4-triazol-3-yl)methyl]-3-phenyl-picolinic acid Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=N1)CC2=C(C(=NC=C2)C(=O)O)C3=CC=CC=C3)CCCC

Isomeric SMILES

CCCCC1=NN(C(=N1)CC2=C(C(=NC=C2)C(=O)O)C3=CC=CC=C3)CCCC

InChI

InChI=1S/C23H28N4O2/c1-3-5-12-19-25-20(27(26-19)15-6-4-2)16-18-13-14-24-22(23(28)29)21(18)17-10-8-7-9-11-17/h7-11,13-14H,3-6,12,15-16H2,1-2H3,(H,28,29)