(2-chloranyl-6-fluoranyl-phenyl)methyl (3S)-5-oxidanylidene-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl (3S)-5-oxidanylidene-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl (3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate CAS Name: (3S)-5-oxo-1-[(1R)-1-phenylethyl]-3-pyrrolidinecarboxylic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl (3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid (2-chloro-6-fluoro-benzyl) ester Formula: C20H19ClFNO3 MolecularWeight: 375.821163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CC(CC2=O)C(=O)OCC3=C(C=CC=C3Cl)F

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2C[C@H](CC2=O)C(=O)OCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H19ClFNO3/c1-13(14-6-3-2-4-7-14)23-11-15(10-19(23)24)20(25)26-12-16-17(21)8-5-9-18(16)22/h2-9,13,15H,10-12H2,1H3/t13-,15+/m1/s1