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

Systemtic Name: 2-[4-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=N1)CCC)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCC1=NN(C(=N1)CCC)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H25N3O2/c1-3-7-20-23-21(8-4-2)25(24-20)15-16-11-13-17(14-12-16)18-9-5-6-10-19(18)22(26)27/h5-6,9-14H,3-4,7-8,15H2,1-2H3,(H,26,27)