3-methyl-5-(5-pentanoyl-2-propyl-1,2,4-triazol-3-yl)-2-phenyl-pyridine-4-carboxylic acid

Systemtic Name: 3-methyl-5-(5-pentanoyl-2-propyl-1,2,4-triazol-3-yl)-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 3-methyl-5-(5-pentanoyl-2-propyl-1,2,4-triazol-3-yl)-2-phenyl-pyridine-4-carboxylic acid CAS Name: 3-methyl-5-[5-(1-oxopentyl)-2-propyl-1,2,4-triazol-3-yl]-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 3-methyl-5-(5-pentanoyl-2-propyl-1,2,4-triazol-3-yl)-2-phenylpyridine-4-carboxylic acid Traditional Name: 3-methyl-2-phenyl-5-(2-propyl-5-valeryl-1,2,4-triazol-3-yl)isonicotinic acid Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=NN(C(=N1)C2=CN=C(C(=C2C(=O)O)C)C3=CC=CC=C3)CCC

Isomeric SMILES

CCCCC(=O)C1=NN(C(=N1)C2=CN=C(C(=C2C(=O)O)C)C3=CC=CC=C3)CCC

InChI

InChI=1S/C23H26N4O3/c1-4-6-12-18(28)21-25-22(27(26-21)13-5-2)17-14-24-20(15(3)19(17)23(29)30)16-10-8-7-9-11-16/h7-11,14H,4-6,12-13H2,1-3H3,(H,29,30)