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2-[4-[(3-ethoxy-5-ethyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid

2-[4-[(3-ethoxy-5-ethyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid

Systemtic Name:2-[4-[(3-ethoxy-5-ethyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid
Openeye Name:2-[4-[(3-ethoxy-5-ethyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid
CAS Name:2-[4-[(3-ethoxy-5-ethyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid
IUPAC Name:2-[4-[(3-ethoxy-5-ethyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid
Traditional Name:2-[4-[(3-ethoxy-5-ethyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid
Formula: C20H21N3O3
MolecularWeight: 351.39904
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)OCC


Isomeric SMILES

CCC1=NC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)OCC


InChI

InChI=1S/C20H21N3O3/c1-3-18-21-20(26-4-2)22-23(18)13-14-9-11-15(12-10-14)16-7-5-6-8-17(16)19(24)25/h5-12H,3-4,13H2,1-2H3,(H,24,25)


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