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

Systemtic Name: (3S)-1-[(3-methoxy-4-phenethyloxy-phenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3S)-1-[(3-methoxy-4-phenethyloxy-phenyl)methyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[(3-methoxy-4-phenethyloxyphenyl)methyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3S)-1-[(3-methoxy-4-phenethyloxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(3-methoxy-4-phenethyloxy-benzyl)pyrrolidine-3-carboxylate Formula: C21H22NO5- MolecularWeight: 368.40308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CC(CC2=O)C(=O)[O-])OCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CN2C[C@H](CC2=O)C(=O)[O-])OCCC3=CC=CC=C3

InChI

InChI=1S/C21H23NO5/c1-26-19-11-16(13-22-14-17(21(24)25)12-20(22)23)7-8-18(19)27-10-9-15-5-3-2-4-6-15/h2-8,11,17H,9-10,12-14H2,1H3,(H,24,25)/p-1/t17-/m0/s1