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

Systemtic Name: 5-(2-butyl-5-phenethyl-1,2,4-triazol-3-yl)-3-methyl-2-phenyl-pyridine-4-carboxylic acid Openeye Name: 5-(2-butyl-5-phenethyl-1,2,4-triazol-3-yl)-3-methyl-2-phenyl-pyridine-4-carboxylic acid CAS Name: 5-(2-butyl-5-phenethyl-1,2,4-triazol-3-yl)-3-methyl-2-phenyl-4-pyridinecarboxylic acid IUPAC Name: 5-(2-butyl-5-phenethyl-1,2,4-triazol-3-yl)-3-methyl-2-phenylpyridine-4-carboxylic acid Traditional Name: 5-(2-butyl-5-phenethyl-1,2,4-triazol-3-yl)-3-methyl-2-phenyl-isonicotinic acid Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC(=N1)CCC2=CC=CC=C2)C3=CN=C(C(=C3C(=O)O)C)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=NC(=N1)CCC2=CC=CC=C2)C3=CN=C(C(=C3C(=O)O)C)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O2/c1-3-4-17-31-26(29-23(30-31)16-15-20-11-7-5-8-12-20)22-18-28-25(19(2)24(22)27(32)33)21-13-9-6-10-14-21/h5-14,18H,3-4,15-17H2,1-2H3,(H,32,33)