2-[6-[(5-butyl-3-pentanoyl-1,2,4-triazol-1-yl)methyl]pyridin-3-yl]benzoic acid

Systemtic Name: 2-[6-[(5-butyl-3-pentanoyl-1,2,4-triazol-1-yl)methyl]pyridin-3-yl]benzoic acid Openeye Name: 2-[6-[(5-butyl-3-pentanoyl-1,2,4-triazol-1-yl)methyl]-3-pyridyl]benzoic acid CAS Name: 2-[6-[[5-butyl-3-(1-oxopentyl)-1,2,4-triazol-1-yl]methyl]-3-pyridinyl]benzoic acid IUPAC Name: 2-[6-[(5-butyl-3-pentanoyl-1,2,4-triazol-1-yl)methyl]pyridin-3-yl]benzoic acid Traditional Name: 2-[6-[(5-butyl-3-valeryl-1,2,4-triazol-1-yl)methyl]-3-pyridyl]benzoic acid Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=NC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)CCCC

Isomeric SMILES

CCCCC1=NC(=NN1CC2=NC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)CCCC

InChI

InChI=1S/C24H28N4O3/c1-3-5-11-21(29)23-26-22(12-6-4-2)28(27-23)16-18-14-13-17(15-25-18)19-9-7-8-10-20(19)24(30)31/h7-10,13-15H,3-6,11-12,16H2,1-2H3,(H,30,31)