[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] (3S)-1-(2-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] (3S)-1-(2-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl] (3S)-1-(2-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid [2-(3-fluoro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C21H20FNO6 MolecularWeight: 401.385003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2CC(=O)N(C2)C3=CC=CC=C3OC)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)[C@H]2CC(=O)N(C2)C3=CC=CC=C3OC)F

InChI

InChI=1S/C21H20FNO6/c1-27-18-8-7-13(9-15(18)22)17(24)12-29-21(26)14-10-20(25)23(11-14)16-5-3-4-6-19(16)28-2/h3-9,14H,10-12H2,1-2H3/t14-/m0/s1