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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])OC1=CC=CC(=C1)C2CCCCC=C2C3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5.[Na+]

Isomeric SMILES

CC(C(=O)[O-])OC1=CC=CC(=C1)C2CCCCC=C2C3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5.[Na+]

InChI

InChI=1S/C31H29NO4.Na/c1-21(31(33)34)35-25-17-11-16-24(20-25)26-18-9-4-10-19-27(26)30-32-28(22-12-5-2-6-13-22)29(36-30)23-14-7-3-8-15-23;/h2-3,5-8,11-17,19-21,26H,4,9-10,18H2,1H3,(H,33,34);/q;+1/p-1