[2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(2-fluorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(2-fluorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-[4-(dimethylamino)anilino]-2-oxo-ethyl] (3S)-1-(2-fluorophenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-[4-(dimethylamino)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylamino)anilino]-2-oxoethyl] (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2-fluorophenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-[4-(dimethylamino)anilino]-2-keto-ethyl] ester Formula: C21H22FN3O4 MolecularWeight: 399.415483

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2CC(=O)N(C2)C3=CC=CC=C3F

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=O)COC(=O)[C@H]2CC(=O)N(C2)C3=CC=CC=C3F

InChI

InChI=1S/C21H22FN3O4/c1-24(2)16-9-7-15(8-10-16)23-19(26)13-29-21(28)14-11-20(27)25(12-14)18-6-4-3-5-17(18)22/h3-10,14H,11-13H2,1-2H3,(H,23,26)/t14-/m0/s1