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

Systemtic Name: 5-[5-(1,1-dimethoxybutyl)-2-pentyl-1,2,4-triazol-3-yl]-3-methyl-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 5-[5-(1,1-dimethoxybutyl)-2-pentyl-1,2,4-triazol-3-yl]-3-methyl-2-phenyl-pyridine-4-carboxylic acid CAS Name: 5-[5-(1,1-dimethoxybutyl)-2-pentyl-1,2,4-triazol-3-yl]-3-methyl-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 5-[5-(1,1-dimethoxybutyl)-2-pentyl-1,2,4-triazol-3-yl]-3-methyl-2-phenylpyridine-4-carboxylic acid Traditional Name: 5-[2-amyl-5-(1,1-dimethoxybutyl)-1,2,4-triazol-3-yl]-3-methyl-2-phenyl-isonicotinic acid Formula: C26H34N4O4 MolecularWeight: 466.57256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC(=N1)C(CCC)(OC)OC)C2=CN=C(C(=C2C(=O)O)C)C3=CC=CC=C3

Isomeric SMILES

CCCCCN1C(=NC(=N1)C(CCC)(OC)OC)C2=CN=C(C(=C2C(=O)O)C)C3=CC=CC=C3

InChI

InChI=1S/C26H34N4O4/c1-6-8-12-16-30-23(28-25(29-30)26(33-4,34-5)15-7-2)20-17-27-22(18(3)21(20)24(31)32)19-13-10-9-11-14-19/h9-11,13-14,17H,6-8,12,15-16H2,1-5H3,(H,31,32)