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pyridin-2-yl 2-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]benzoate

pyridin-2-yl 2-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]benzoate

Systemtic Name:pyridin-2-yl 2-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]benzoate
Openeye Name:2-pyridyl 2-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]benzoate
CAS Name:2-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]benzoic acid 2-pyridinyl ester
IUPAC Name:pyridin-2-yl 2-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]benzoate
Traditional Name:2-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]benzoic acid 2-pyridyl ester
Formula: C23H28N4O2
MolecularWeight: 392.49402
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=N1)CCCC)CC2=CC=CC=C2C(=O)OC3=CC=CC=N3


Isomeric SMILES

CCCCC1=NN(C(=N1)CCCC)CC2=CC=CC=C2C(=O)OC3=CC=CC=N3


InChI

InChI=1S/C23H28N4O2/c1-3-5-13-20-25-21(14-6-4-2)27(26-20)17-18-11-7-8-12-19(18)23(28)29-22-15-9-10-16-24-22/h7-12,15-16H,3-6,13-14,17H2,1-2H3


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