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

Systemtic Name: 2-[3-methyl-5-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 2-[3-[(2-isopropyl-5-methyl-phenoxy)methyl]-5-methyl-1,2,4-triazol-4-yl]benzoic acid CAS Name: 2-[3-methyl-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 2-[3-methyl-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 2-[3-[(2-isopropyl-5-methyl-phenoxy)methyl]-5-methyl-1,2,4-triazol-4-yl]benzoic acid Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(N2C3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(N2C3=CC=CC=C3C(=O)O)C

InChI

InChI=1S/C21H23N3O3/c1-13(2)16-10-9-14(3)11-19(16)27-12-20-23-22-15(4)24(20)18-8-6-5-7-17(18)21(25)26/h5-11,13H,12H2,1-4H3,(H,25,26)