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

Systemtic Name: 3-[4-[(5-butanoyl-2-butyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-4-carboxylic acid Openeye Name: 3-[4-[(5-butanoyl-2-butyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-4-carboxylic acid CAS Name: 3-[4-[[2-butyl-5-(1-oxobutyl)-1,2,4-triazol-3-yl]methyl]phenyl]-4-pyridinecarboxylic acid IUPAC Name: 3-[4-[(5-butanoyl-2-butyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-4-carboxylic acid Traditional Name: 3-[4-[(2-butyl-5-butyryl-1,2,4-triazol-3-yl)methyl]phenyl]isonicotinic acid Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC(=N1)C(=O)CCC)CC2=CC=C(C=C2)C3=C(C=CN=C3)C(=O)O

Isomeric SMILES

CCCCN1C(=NC(=N1)C(=O)CCC)CC2=CC=C(C=C2)C3=C(C=CN=C3)C(=O)O

InChI

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