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

Systemtic Name: 5-(2-butyl-5-pentanoyl-1,2,4-triazol-3-yl)-4-methyl-2-phenyl-pyridine-3-carboxylic acid Openeye Name: 5-(2-butyl-5-pentanoyl-1,2,4-triazol-3-yl)-4-methyl-2-phenyl-pyridine-3-carboxylic acid CAS Name: 5-[2-butyl-5-(1-oxopentyl)-1,2,4-triazol-3-yl]-4-methyl-2-phenyl-3-pyridinecarboxylic acid IUPAC Name: 5-(2-butyl-5-pentanoyl-1,2,4-triazol-3-yl)-4-methyl-2-phenylpyridine-3-carboxylic acid Traditional Name: 5-(2-butyl-5-valeryl-1,2,4-triazol-3-yl)-4-methyl-2-phenyl-nicotinic acid Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O3/c1-4-6-13-19(29)22-26-23(28(27-22)14-7-5-2)18-15-25-21(17-11-9-8-10-12-17)20(16(18)3)24(30)31/h8-12,15H,4-7,13-14H2,1-3H3,(H,30,31)