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

Systemtic Name: sodium 2-[2-(4,5-diphenyl-1,3-oxazol-2-yl)-2-methoxy-cyclohexyl]-2-phenoxy-propanoate Openeye Name: sodium 2-[2-(4,5-diphenyloxazol-2-yl)-2-methoxy-cyclohexyl]-2-phenoxy-propanoate CAS Name: sodium 2-[2-(4,5-diphenyl-2-oxazolyl)-2-methoxycyclohexyl]-2-phenoxypropanoate IUPAC Name: sodium 2-[2-(4,5-diphenyl-1,3-oxazol-2-yl)-2-methoxycyclohexyl]-2-phenoxypropanoate Traditional Name: sodium 2-[2-(4,5-diphenyloxazol-2-yl)-2-methoxy-cyclohexyl]-2-phenoxy-propionate Formula: C31H30NNaO5 MolecularWeight: 519.56337

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1(C2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)OC)(C(=O)[O-])OC5=CC=CC=C5.[Na+]

Isomeric SMILES

CC(C1CCCCC1(C2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)OC)(C(=O)[O-])OC5=CC=CC=C5.[Na+]

InChI

InChI=1S/C31H31NO5.Na/c1-30(29(33)34,37-24-18-10-5-11-19-24)25-20-12-13-21-31(25,35-2)28-32-26(22-14-6-3-7-15-22)27(36-28)23-16-8-4-9-17-23;/h3-11,14-19,25H,12-13,20-21H2,1-2H3,(H,33,34);/q;+1/p-1