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

Systemtic Name: 2-[4-[(2-ethyl-5-phenethyl-1,2,4-triazol-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-ethyl-5-phenethyl-1,2,4-triazol-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-ethyl-5-phenethyl-1,2,4-triazol-3-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-ethyl-5-phenethyl-1,2,4-triazol-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-ethyl-5-phenethyl-1,2,4-triazol-3-yl)methyl]phenyl]benzoic acid Formula: C26H25N3O2 MolecularWeight: 411.4956

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC(=N1)CCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCN1C(=NC(=N1)CCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C26H25N3O2/c1-2-29-25(27-24(28-29)17-14-19-8-4-3-5-9-19)18-20-12-15-21(16-13-20)22-10-6-7-11-23(22)26(30)31/h3-13,15-16H,2,14,17-18H2,1H3,(H,30,31)