(2-chloranyl-6-fluoranyl-phenyl)methyl (3S)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl (3S)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl (3S)-5-oxo-1-(p-tolyl)pyrrolidine-3-carboxylate CAS Name: (3S)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl (3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(p-tolyl)pyrrolidine-3-carboxylic acid (2-chloro-6-fluoro-benzyl) ester Formula: C19H17ClFNO3 MolecularWeight: 361.794583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)OCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H17ClFNO3/c1-12-5-7-14(8-6-12)22-10-13(9-18(22)23)19(24)25-11-15-16(20)3-2-4-17(15)21/h2-8,13H,9-11H2,1H3/t13-/m0/s1