1-ethylpyrrolidine; 2-(4-methoxy-3-phenethyloxy-phenoxy)-2-oxidanylidene-ethanoate

Systemtic Name: 1-ethylpyrrolidine; 2-(4-methoxy-3-phenethyloxy-phenoxy)-2-oxidanylidene-ethanoate Openeye Name: 1-ethylpyrrolidine; 2-(4-methoxy-3-phenethyloxy-phenoxy)-2-oxo-acetate CAS Name: 1-ethylpyrrolidine; 2-(4-methoxy-3-phenethyloxyphenoxy)-2-oxoacetate IUPAC Name: 1-ethylpyrrolidine; 2-(4-methoxy-3-phenethyloxyphenoxy)-2-oxoacetate Traditional Name: 1-ethylpyrrolidine; 2-keto-2-(4-methoxy-3-phenethyloxy-phenoxy)acetate Formula: C23H28NO6- MolecularWeight: 414.47152

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1.COC1=C(C=C(C=C1)OC(=O)C(=O)[O-])OCCC2=CC=CC=C2

Isomeric SMILES

CCN1CCCC1.COC1=C(C=C(C=C1)OC(=O)C(=O)[O-])OCCC2=CC=CC=C2

InChI

InChI=1S/C17H16O6.C6H13N/c1-21-14-8-7-13(23-17(20)16(18)19)11-15(14)22-10-9-12-5-3-2-4-6-12;1-2-7-5-3-4-6-7/h2-8,11H,9-10H2,1H3,(H,18,19);2-6H2,1H3/p-1