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

Systemtic Name: 3-methyl-5-(2-pentyl-5-phenethyl-1,2,4-triazol-3-yl)-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 3-methyl-5-(2-pentyl-5-phenethyl-1,2,4-triazol-3-yl)-2-phenyl-pyridine-4-carboxylic acid CAS Name: 3-methyl-5-(2-pentyl-5-phenethyl-1,2,4-triazol-3-yl)-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 3-methyl-5-(2-pentyl-5-phenethyl-1,2,4-triazol-3-yl)-2-phenylpyridine-4-carboxylic acid Traditional Name: 5-(2-amyl-5-phenethyl-1,2,4-triazol-3-yl)-3-methyl-2-phenyl-isonicotinic acid Formula: C28H30N4O2 MolecularWeight: 454.5634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC(=N1)CCC2=CC=CC=C2)C3=CN=C(C(=C3C(=O)O)C)C4=CC=CC=C4

Isomeric SMILES

CCCCCN1C(=NC(=N1)CCC2=CC=CC=C2)C3=CN=C(C(=C3C(=O)O)C)C4=CC=CC=C4

InChI

InChI=1S/C28H30N4O2/c1-3-4-11-18-32-27(30-24(31-32)17-16-21-12-7-5-8-13-21)23-19-29-26(20(2)25(23)28(33)34)22-14-9-6-10-15-22/h5-10,12-15,19H,3-4,11,16-18H2,1-2H3,(H,33,34)