(3S)-1-[(4-butoxy-3-ethoxy-phenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3S)-1-[(4-butoxy-3-ethoxy-phenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3S)-1-[(4-butoxy-3-ethoxy-phenyl)methyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[(4-butoxy-3-ethoxyphenyl)methyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3S)-1-[(4-butoxy-3-ethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(4-butoxy-3-ethoxy-benzyl)-5-keto-pyrrolidine-3-carboxylate Formula: C18H24NO5- MolecularWeight: 334.38686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CN2CC(CC2=O)C(=O)[O-])OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CN2C[C@H](CC2=O)C(=O)[O-])OCC

InChI

InChI=1S/C18H25NO5/c1-3-5-8-24-15-7-6-13(9-16(15)23-4-2)11-19-12-14(18(21)22)10-17(19)20/h6-7,9,14H,3-5,8,10-12H2,1-2H3,(H,21,22)/p-1/t14-/m0/s1