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

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

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

Canonical SMILES:

CCCCCC1=NN(C(=N1)CC2=C(C=CC=C2C(=O)O)C3=CN=CC=C3)CCC


Isomeric SMILES

CCCCCC1=NN(C(=N1)CC2=C(C=CC=C2C(=O)O)C3=CN=CC=C3)CCC


InChI

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


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