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

Systemtic Name: sodium 2-[4-[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]phenoxy]propanoate Openeye Name: sodium 2-[4-[2-(4,5-diphenyloxazol-2-yl)cyclohex-2-en-1-yl]phenoxy]propanoate CAS Name: sodium 2-[4-[2-(4,5-diphenyl-2-oxazolyl)-1-cyclohex-2-enyl]phenoxy]propanoate IUPAC Name: sodium 2-[4-[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]phenoxy]propanoate Traditional Name: sodium 2-[4-[2-(4,5-diphenyloxazol-2-yl)cyclohex-2-en-1-yl]phenoxy]propionate Formula: C30H26NNaO4 MolecularWeight: 487.52151

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])OC1=CC=C(C=C1)C2CCCC=C2C3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5.[Na+]

Isomeric SMILES

CC(C(=O)[O-])OC1=CC=C(C=C1)C2CCCC=C2C3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5.[Na+]

InChI

InChI=1S/C30H27NO4.Na/c1-20(30(32)33)34-24-18-16-21(17-19-24)25-14-8-9-15-26(25)29-31-27(22-10-4-2-5-11-22)28(35-29)23-12-6-3-7-13-23;/h2-7,10-13,15-20,25H,8-9,14H2,1H3,(H,32,33);/q;+1/p-1