[2-[(5-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(5-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(5-chloro-2-fluoro-anilino)-2-oxo-ethyl] (3S)-1-(2,3-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2,3-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] (3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2,3-dimethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(5-chloro-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C21H20ClFN2O4 MolecularWeight: 418.845903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C[C@H](CC2=O)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)F)C

InChI

InChI=1S/C21H20ClFN2O4/c1-12-4-3-5-18(13(12)2)25-10-14(8-20(25)27)21(28)29-11-19(26)24-17-9-15(22)6-7-16(17)23/h3-7,9,14H,8,10-11H2,1-2H3,(H,24,26)/t14-/m0/s1