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

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

Systemtic Name:2-[4-[(2-butan-2-yl-5-ethyl-1,2,4-triazol-3-yl)methyl]phenyl]benzoic acid
Openeye Name:2-[4-[(5-ethyl-2-sec-butyl-1,2,4-triazol-3-yl)methyl]phenyl]benzoic acid
CAS Name:2-[4-[(2-butan-2-yl-5-ethyl-1,2,4-triazol-3-yl)methyl]phenyl]benzoic acid
IUPAC Name:2-[4-[(2-butan-2-yl-5-ethyl-1,2,4-triazol-3-yl)methyl]phenyl]benzoic acid
Traditional Name:2-[4-[(5-ethyl-2-sec-butyl-1,2,4-triazol-3-yl)methyl]phenyl]benzoic acid
Formula: C22H25N3O2
MolecularWeight: 363.4528
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=N1)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(C)CC


Isomeric SMILES

CCC1=NN(C(=N1)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(C)CC


InChI

InChI=1S/C22H25N3O2/c1-4-15(3)25-21(23-20(5-2)24-25)14-16-10-12-17(13-11-16)18-8-6-7-9-19(18)22(26)27/h6-13,15H,4-5,14H2,1-3H3,(H,26,27)


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