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

Systemtic Name: 4-methyl-5-[2-pentyl-5-(phenylcarbonyl)-1,2,4-triazol-3-yl]-3-phenyl-pyridine-2-carboxylic acid Openeye Name: 5-(5-benzoyl-2-pentyl-1,2,4-triazol-3-yl)-4-methyl-3-phenyl-pyridine-2-carboxylic acid CAS Name: 5-(5-benzoyl-2-pentyl-1,2,4-triazol-3-yl)-4-methyl-3-phenyl-2-pyridinecarboxylic acid IUPAC Name: 5-(5-benzoyl-2-pentyl-1,2,4-triazol-3-yl)-4-methyl-3-phenylpyridine-2-carboxylic acid Traditional Name: 5-(2-amyl-5-benzoyl-1,2,4-triazol-3-yl)-4-methyl-3-phenyl-picolinic acid Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC(=N1)C(=O)C2=CC=CC=C2)C3=CN=C(C(=C3C)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCCCN1C(=NC(=N1)C(=O)C2=CC=CC=C2)C3=CN=C(C(=C3C)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H26N4O3/c1-3-4-11-16-31-26(29-25(30-31)24(32)20-14-9-6-10-15-20)21-17-28-23(27(33)34)22(18(21)2)19-12-7-5-8-13-19/h5-10,12-15,17H,3-4,11,16H2,1-2H3,(H,33,34)