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

Systemtic Name: (3R)-1-[[4-[2-(diethylazaniumyl)ethoxy]-3-ethoxy-phenyl]methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3R)-1-[[4-[2-(diethylammonio)ethoxy]-3-ethoxy-phenyl]methyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[[4-[2-(diethylammonio)ethoxy]-3-ethoxyphenyl]methyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3R)-1-[[4-[2-(diethylazaniumyl)ethoxy]-3-ethoxyphenyl]methyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-1-[4-[2-(diethylammonio)ethoxy]-3-ethoxy-benzyl]-5-keto-pyrrolidine-3-carboxylate Formula: C20H30N2O5 MolecularWeight: 378.4626

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC1=C(C=C(C=C1)CN2CC(CC2=O)C(=O)[O-])OCC

Isomeric SMILES

CC[NH+](CC)CCOC1=C(C=C(C=C1)CN2C[C@@H](CC2=O)C(=O)[O-])OCC

InChI

InChI=1S/C20H30N2O5/c1-4-21(5-2)9-10-27-17-8-7-15(11-18(17)26-6-3)13-22-14-16(20(24)25)12-19(22)23/h7-8,11,16H,4-6,9-10,12-14H2,1-3H3,(H,24,25)/t16-/m1/s1