(3-fluoranyl-4-methoxy-phenyl)methyl (3S)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxylate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl (3S)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxylate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl (3S)-5-oxo-1-phenethyl-pyrrolidine-3-carboxylate CAS Name: (3S)-5-oxo-1-phenethyl-3-pyrrolidinecarboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl (3S)-5-oxo-1-phenethylpyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-phenethyl-pyrrolidine-3-carboxylic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C21H22FNO4 MolecularWeight: 371.402083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)[C@H]2CC(=O)N(C2)CCC3=CC=CC=C3)F

InChI

InChI=1S/C21H22FNO4/c1-26-19-8-7-16(11-18(19)22)14-27-21(25)17-12-20(24)23(13-17)10-9-15-5-3-2-4-6-15/h2-8,11,17H,9-10,12-14H2,1H3/t17-/m0/s1