4-[[4-(4-cyclohexyl-1,2,3-triazol-1-yl)piperidin-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-(4-cyclohexyl-1,2,3-triazol-1-yl)piperidin-1-yl]methyl]benzoic acid Openeye Name: 4-[[4-(4-cyclohexyltriazol-1-yl)-1-piperidyl]methyl]benzoic acid CAS Name: 4-[[4-(4-cyclohexyl-1-triazolyl)-1-piperidinyl]methyl]benzoic acid IUPAC Name: 4-[[4-(4-cyclohexyltriazol-1-yl)piperidin-1-yl]methyl]benzoic acid Traditional Name: 4-[[4-(4-cyclohexyltriazol-1-yl)piperidino]methyl]benzoic acid Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CN(N=N2)C3CCN(CC3)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=CN(N=N2)C3CCN(CC3)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H28N4O2/c26-21(27)18-8-6-16(7-9-18)14-24-12-10-19(11-13-24)25-15-20(22-23-25)17-4-2-1-3-5-17/h6-9,15,17,19H,1-5,10-14H2,(H,26,27)