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

Systemtic Name: 5-[2-butyl-5-(2-phenylethanoyl)-1,2,4-triazol-3-yl]-4-methyl-3-phenyl-pyridine-2-carboxylic acid Openeye Name: 5-[2-butyl-5-(2-phenylacetyl)-1,2,4-triazol-3-yl]-4-methyl-3-phenyl-pyridine-2-carboxylic acid CAS Name: 5-[2-butyl-5-(1-oxo-2-phenylethyl)-1,2,4-triazol-3-yl]-4-methyl-3-phenyl-2-pyridinecarboxylic acid IUPAC Name: 5-[2-butyl-5-(2-phenylacetyl)-1,2,4-triazol-3-yl]-4-methyl-3-phenylpyridine-2-carboxylic acid Traditional Name: 5-[2-butyl-5-(2-phenylacetyl)-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:

CCCCN1C(=NC(=N1)C(=O)CC2=CC=CC=C2)C3=CN=C(C(=C3C)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCCN1C(=NC(=N1)C(=O)CC2=CC=CC=C2)C3=CN=C(C(=C3C)C4=CC=CC=C4)C(=O)O

InChI

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