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

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

Systemtic Name:2-[5-[(2-pentyl-5-phenethyl-1,2,4-triazol-3-yl)methyl]pyridin-2-yl]benzoic acid
Openeye Name:2-[5-[(2-pentyl-5-phenethyl-1,2,4-triazol-3-yl)methyl]-2-pyridyl]benzoic acid
CAS Name:2-[5-[(2-pentyl-5-phenethyl-1,2,4-triazol-3-yl)methyl]-2-pyridinyl]benzoic acid
IUPAC Name:2-[5-[(2-pentyl-5-phenethyl-1,2,4-triazol-3-yl)methyl]pyridin-2-yl]benzoic acid
Traditional Name:2-[5-[(2-amyl-5-phenethyl-1,2,4-triazol-3-yl)methyl]-2-pyridyl]benzoic acid
Formula: C28H30N4O2
MolecularWeight: 454.5634
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC(=N1)CCC2=CC=CC=C2)CC3=CN=C(C=C3)C4=CC=CC=C4C(=O)O


Isomeric SMILES

CCCCCN1C(=NC(=N1)CCC2=CC=CC=C2)CC3=CN=C(C=C3)C4=CC=CC=C4C(=O)O


InChI

InChI=1S/C28H30N4O2/c1-2-3-9-18-32-27(30-26(31-32)17-15-21-10-5-4-6-11-21)19-22-14-16-25(29-20-22)23-12-7-8-13-24(23)28(33)34/h4-8,10-14,16,20H,2-3,9,15,17-19H2,1H3,(H,33,34)


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