2-(4,5-diphenyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid

Systemtic Name: 2-(4,5-diphenyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid Openeye Name: 2-(4,5-diphenyl-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid CAS Name: 2-(4,5-diphenyl-1,2,4-triazol-3-yl)-1-cyclohexanecarboxylic acid IUPAC Name: 2-(4,5-diphenyl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid Traditional Name: 2-(4,5-diphenyl-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CCC(C(C1)C2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H21N3O2/c25-21(26)18-14-8-7-13-17(18)20-23-22-19(15-9-3-1-4-10-15)24(20)16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2,(H,25,26)