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

Systemtic Name: 2-[4-[(3-ethyl-5-propyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(3-ethyl-5-propyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(3-ethyl-5-propyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(3-ethyl-5-propyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(3-ethyl-5-propyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CC

Isomeric SMILES

CCCC1=NC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CC

InChI

InChI=1S/C21H23N3O2/c1-3-7-20-22-19(4-2)23-24(20)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)21(25)26/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,25,26)