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

Systemtic Name: 2-[4-[(2-butyl-5-propanoyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-3-carboxylic acid Openeye Name: 2-[4-[(2-butyl-5-propanoyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-3-carboxylic acid CAS Name: 2-[4-[[2-butyl-5-(1-oxopropyl)-1,2,4-triazol-3-yl]methyl]phenyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[4-[(2-butyl-5-propanoyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-3-carboxylic acid Traditional Name: 2-[4-[(2-butyl-5-propionyl-1,2,4-triazol-3-yl)methyl]phenyl]nicotinic acid Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC(=N1)C(=O)CC)CC2=CC=C(C=C2)C3=C(C=CC=N3)C(=O)O

Isomeric SMILES

CCCCN1C(=NC(=N1)C(=O)CC)CC2=CC=C(C=C2)C3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C22H24N4O3/c1-3-5-13-26-19(24-21(25-26)18(27)4-2)14-15-8-10-16(11-9-15)20-17(22(28)29)7-6-12-23-20/h6-12H,3-5,13-14H2,1-2H3,(H,28,29)