(3R)-1-[2-(3-ethoxy-4-hexoxy-phenyl)ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3R)-1-[2-(3-ethoxy-4-hexoxy-phenyl)ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3R)-1-[2-(3-ethoxy-4-hexoxy-phenyl)ethyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[2-(3-ethoxy-4-hexoxyphenyl)ethyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3R)-1-[2-(3-ethoxy-4-hexoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-1-[2-(3-ethoxy-4-hexoxy-phenyl)ethyl]-5-keto-pyrrolidine-3-carboxylate Formula: C21H30NO5- MolecularWeight: 376.4666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)[O-])OCC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)CCN2C[C@@H](CC2=O)C(=O)[O-])OCC

InChI

InChI=1S/C21H31NO5/c1-3-5-6-7-12-27-18-9-8-16(13-19(18)26-4-2)10-11-22-15-17(21(24)25)14-20(22)23/h8-9,13,17H,3-7,10-12,14-15H2,1-2H3,(H,24,25)/p-1/t17-/m1/s1