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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC(=N1)C(C)CC)CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCN1C(=NC(=N1)C(C)CC)CC2=C(C=CN=C2C3=CC=CC=C3)C(=O)O

InChI

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