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

Systemtic Name: sodium 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]-4-phenyl-phenoxy]propanoate Openeye Name: sodium 2-[3-[2-(4,5-diphenyloxazol-2-yl)cyclohex-2-en-1-yl]-4-phenyl-phenoxy]propanoate CAS Name: sodium 2-[3-[2-(4,5-diphenyl-2-oxazolyl)-1-cyclohex-2-enyl]-4-phenylphenoxy]propanoate IUPAC Name: sodium 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]-4-phenylphenoxy]propanoate Traditional Name: sodium 2-[3-[2-(4,5-diphenyloxazol-2-yl)cyclohex-2-en-1-yl]-4-phenyl-phenoxy]propionate Formula: C36H30NNaO4 MolecularWeight: 563.61747

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])OC1=CC(=C(C=C1)C2=CC=CC=C2)C3CCCC=C3C4=NC(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6.[Na+]

Isomeric SMILES

CC(C(=O)[O-])OC1=CC(=C(C=C1)C2=CC=CC=C2)C3CCCC=C3C4=NC(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6.[Na+]

InChI

InChI=1S/C36H31NO4.Na/c1-24(36(38)39)40-28-21-22-29(25-13-5-2-6-14-25)32(23-28)30-19-11-12-20-31(30)35-37-33(26-15-7-3-8-16-26)34(41-35)27-17-9-4-10-18-27;/h2-10,13-18,20-24,30H,11-12,19H2,1H3,(H,38,39);/q;+1/p-1