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

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

Systemtic Name:2-[6-[(3-pentanoyl-5-pentyl-1,2,4-triazol-1-yl)methyl]pyridin-3-yl]benzoic acid
Openeye Name:2-[6-[(3-pentanoyl-5-pentyl-1,2,4-triazol-1-yl)methyl]-3-pyridyl]benzoic acid
CAS Name:2-[6-[[3-(1-oxopentyl)-5-pentyl-1,2,4-triazol-1-yl]methyl]-3-pyridinyl]benzoic acid
IUPAC Name:2-[6-[(3-pentanoyl-5-pentyl-1,2,4-triazol-1-yl)methyl]pyridin-3-yl]benzoic acid
Traditional Name:2-[6-[(5-amyl-3-valeryl-1,2,4-triazol-1-yl)methyl]-3-pyridyl]benzoic acid
Formula: C25H30N4O3
MolecularWeight: 434.5307
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC(=NN1CC2=NC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)CCCC


Isomeric SMILES

CCCCCC1=NC(=NN1CC2=NC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)CCCC


InChI

InChI=1S/C25H30N4O3/c1-3-5-7-13-23-27-24(22(30)12-6-4-2)28-29(23)17-19-15-14-18(16-26-19)20-10-8-9-11-21(20)25(31)32/h8-11,14-16H,3-7,12-13,17H2,1-2H3,(H,31,32)


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