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

Systemtic Name: 4-[(5-butan-2-yl-2-propyl-1,2,4-triazol-3-yl)methyl]-3-phenyl-pyridine-2-carboxylic acid Openeye Name: 3-phenyl-4-[(2-propyl-5-sec-butyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxylic acid CAS Name: 4-[(5-butan-2-yl-2-propyl-1,2,4-triazol-3-yl)methyl]-3-phenyl-2-pyridinecarboxylic acid IUPAC Name: 4-[(5-butan-2-yl-2-propyl-1,2,4-triazol-3-yl)methyl]-3-phenylpyridine-2-carboxylic acid Traditional Name: 3-phenyl-4-[(2-propyl-5-sec-butyl-1,2,4-triazol-3-yl)methyl]picolinic acid Formula: C22H26N4O2 MolecularWeight: 378.46744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC(=N1)C(C)CC)CC2=C(C(=NC=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCCN1C(=NC(=N1)C(C)CC)CC2=C(C(=NC=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O2/c1-4-13-26-18(24-21(25-26)15(3)5-2)14-17-11-12-23-20(22(27)28)19(17)16-9-7-6-8-10-16/h6-12,15H,4-5,13-14H2,1-3H3,(H,27,28)