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

Systemtic Name: 5-[2-butyl-5-(1,1-dimethoxybutyl)-1,2,4-triazol-3-yl]-3-methyl-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 5-[2-butyl-5-(1,1-dimethoxybutyl)-1,2,4-triazol-3-yl]-3-methyl-2-phenyl-pyridine-4-carboxylic acid CAS Name: 5-[2-butyl-5-(1,1-dimethoxybutyl)-1,2,4-triazol-3-yl]-3-methyl-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 5-[2-butyl-5-(1,1-dimethoxybutyl)-1,2,4-triazol-3-yl]-3-methyl-2-phenylpyridine-4-carboxylic acid Traditional Name: 5-[2-butyl-5-(1,1-dimethoxybutyl)-1,2,4-triazol-3-yl]-3-methyl-2-phenyl-isonicotinic acid Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC(=N1)C(CCC)(OC)OC)C2=CN=C(C(=C2C(=O)O)C)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=NC(=N1)C(CCC)(OC)OC)C2=CN=C(C(=C2C(=O)O)C)C3=CC=CC=C3

InChI

InChI=1S/C25H32N4O4/c1-6-8-15-29-22(27-24(28-29)25(32-4,33-5)14-7-2)19-16-26-21(17(3)20(19)23(30)31)18-12-10-9-11-13-18/h9-13,16H,6-8,14-15H2,1-5H3,(H,30,31)