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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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