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

Systemtic Name: 2-[4-[(5-phenethyl-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-3-carboxylic acid Openeye Name: 2-[4-[(5-phenethyl-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-3-carboxylic acid CAS Name: 2-[4-[(5-phenethyl-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[4-[(5-phenethyl-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-3-carboxylic acid Traditional Name: 2-[4-[(5-phenethyl-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]nicotinic acid Formula: C26H26N4O2 MolecularWeight: 426.51024

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC(=N1)CCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=C(C=CC=N4)C(=O)O

Isomeric SMILES

CCCN1C(=NC(=N1)CCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=C(C=CC=N4)C(=O)O

InChI

InChI=1S/C26H26N4O2/c1-2-17-30-24(28-23(29-30)15-12-19-7-4-3-5-8-19)18-20-10-13-21(14-11-20)25-22(26(31)32)9-6-16-27-25/h3-11,13-14,16H,2,12,15,17-18H2,1H3,(H,31,32)