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

Systemtic Name: 4-[[5-(3-methylbutyl)-2-propyl-1,2,4-triazol-3-yl]methyl]-2-phenyl-pyridine-3-carboxylic acid Openeye Name: 4-[(5-isopentyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-pyridine-3-carboxylic acid CAS Name: 4-[[5-(3-methylbutyl)-2-propyl-1,2,4-triazol-3-yl]methyl]-2-phenyl-3-pyridinecarboxylic acid IUPAC Name: 4-[[5-(3-methylbutyl)-2-propyl-1,2,4-triazol-3-yl]methyl]-2-phenylpyridine-3-carboxylic acid Traditional Name: 4-[(5-isoamyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-nicotinic acid Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC(=N1)CCC(C)C)CC2=C(C(=NC=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCN1C(=NC(=N1)CCC(C)C)CC2=C(C(=NC=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H28N4O2/c1-4-14-27-20(25-19(26-27)11-10-16(2)3)15-18-12-13-24-22(21(18)23(28)29)17-8-6-5-7-9-17/h5-9,12-13,16H,4,10-11,14-15H2,1-3H3,(H,28,29)