4-[[1-(2-hydroxyethyl)-4-oxidanyl-6,7,8,9-tetrahydro-5H-cycloocta[d][1,2,3]triazol-4-yl]methyl]benzoic acid

Systemtic Name: 4-[[1-(2-hydroxyethyl)-4-oxidanyl-6,7,8,9-tetrahydro-5H-cycloocta[d][1,2,3]triazol-4-yl]methyl]benzoic acid Openeye Name: 4-[[4-hydroxy-1-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-cycloocta[d]triazol-4-yl]methyl]benzoic acid CAS Name: 4-[[4-hydroxy-1-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-cycloocta[d]triazol-4-yl]methyl]benzoic acid IUPAC Name: 4-[[4-hydroxy-1-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-cycloocta[d]triazol-4-yl]methyl]benzoic acid Traditional Name: 4-[[4-hydroxy-1-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-cycloocta[d]triazol-4-yl]methyl]benzoic acid Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C(CC1)(CC3=CC=C(C=C3)C(=O)O)O)N=NN2CCO

Isomeric SMILES

C1CCC2=C(C(CC1)(CC3=CC=C(C=C3)C(=O)O)O)N=NN2CCO

InChI

InChI=1S/C18H23N3O4/c22-11-10-21-15-4-2-1-3-9-18(25,16(15)19-20-21)12-13-5-7-14(8-6-13)17(23)24/h5-8,22,25H,1-4,9-12H2,(H,23,24)