sodium 2-[2-(4,5-diphenyl-1,3-oxazol-2-yl)-2-oxidanyl-cyclohexyl]-2-phenoxy-ethanoate

Systemtic Name: sodium 2-[2-(4,5-diphenyl-1,3-oxazol-2-yl)-2-oxidanyl-cyclohexyl]-2-phenoxy-ethanoate Openeye Name: sodium 2-[2-(4,5-diphenyloxazol-2-yl)-2-hydroxy-cyclohexyl]-2-phenoxy-acetate CAS Name: sodium 2-[2-(4,5-diphenyl-2-oxazolyl)-2-hydroxycyclohexyl]-2-phenoxyacetate IUPAC Name: sodium 2-[2-(4,5-diphenyl-1,3-oxazol-2-yl)-2-hydroxycyclohexyl]-2-phenoxyacetate Traditional Name: sodium 2-[2-(4,5-diphenyloxazol-2-yl)-2-hydroxy-cyclohexyl]-2-phenoxy-acetate Formula: C29H26NNaO5 MolecularWeight: 491.51021

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(C(=O)[O-])OC2=CC=CC=C2)(C3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5)O.[Na+]

Isomeric SMILES

C1CCC(C(C1)C(C(=O)[O-])OC2=CC=CC=C2)(C3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5)O.[Na+]

InChI

InChI=1S/C29H27NO5.Na/c31-27(32)26(34-22-16-8-3-9-17-22)23-18-10-11-19-29(23,33)28-30-24(20-12-4-1-5-13-20)25(35-28)21-14-6-2-7-15-21;/h1-9,12-17,23,26,33H,10-11,18-19H2,(H,31,32);/q;+1/p-1