[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl] 4-chloranyl-2-fluoranyl-benzoate

Systemtic Name: [2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl] 4-chloranyl-2-fluoranyl-benzoate Openeye Name: [2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxo-ethyl] 4-chloro-2-fluoro-benzoate CAS Name: 4-chloro-2-fluorobenzoic acid [2-[2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl] ester IUPAC Name: [2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl] 4-chloro-2-fluorobenzoate Traditional Name: 4-chloro-2-fluoro-benzoic acid [2-[2-(2,5-dimethoxyphenyl)pyrrolidino]-2-keto-ethyl] ester Formula: C21H21ClFNO5 MolecularWeight: 421.846543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)COC(=O)C3=C(C=C(C=C3)Cl)F

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)COC(=O)C3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C21H21ClFNO5/c1-27-14-6-8-19(28-2)16(11-14)18-4-3-9-24(18)20(25)12-29-21(26)15-7-5-13(22)10-17(15)23/h5-8,10-11,18H,3-4,9,12H2,1-2H3