sodium 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]-4-methyl-phenoxy]propanoate

Systemtic Name: sodium 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]-4-methyl-phenoxy]propanoate Openeye Name: sodium 2-[3-[2-(4,5-diphenyloxazol-2-yl)cyclohex-2-en-1-yl]-4-methyl-phenoxy]propanoate CAS Name: sodium 2-[3-[2-(4,5-diphenyl-2-oxazolyl)-1-cyclohex-2-enyl]-4-methylphenoxy]propanoate IUPAC Name: sodium 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]-4-methylphenoxy]propanoate Traditional Name: sodium 2-[3-[2-(4,5-diphenyloxazol-2-yl)cyclohex-2-en-1-yl]-4-methyl-phenoxy]propionate Formula: C31H28NNaO4 MolecularWeight: 501.54809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(C)C(=O)[O-])C2CCCC=C2C3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5.[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)OC(C)C(=O)[O-])C2CCCC=C2C3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5.[Na+]

InChI

InChI=1S/C31H29NO4.Na/c1-20-17-18-24(35-21(2)31(33)34)19-27(20)25-15-9-10-16-26(25)30-32-28(22-11-5-3-6-12-22)29(36-30)23-13-7-4-8-14-23;/h3-8,11-14,16-19,21,25H,9-10,15H2,1-2H3,(H,33,34);/q;+1/p-1