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

Systemtic Name: (3S)-1-[(4-butoxy-3-methoxy-phenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3S)-1-[(4-butoxy-3-methoxy-phenyl)methyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[(4-butoxy-3-methoxyphenyl)methyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3S)-1-[(4-butoxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(4-butoxy-3-methoxy-benzyl)-5-keto-pyrrolidine-3-carboxylate Formula: C17H22NO5- MolecularWeight: 320.36028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO5/c1-3-4-7-23-14-6-5-12(8-15(14)22-2)10-18-11-13(17(20)21)9-16(18)19/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H,20,21)/p-1/t13-/m0/s1