[2-oxidanylidene-2-[[1-(phenylmethyl)pyrrolidin-3-yl]amino]ethyl] 4-chloranyl-2-fluoranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[[1-(phenylmethyl)pyrrolidin-3-yl]amino]ethyl] 4-chloranyl-2-fluoranyl-benzoate Openeye Name: [2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxo-ethyl] 4-chloro-2-fluoro-benzoate CAS Name: 4-chloro-2-fluorobenzoic acid [2-oxo-2-[[1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl] ester IUPAC Name: [2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl] 4-chloro-2-fluorobenzoate Traditional Name: 4-chloro-2-fluoro-benzoic acid [2-[(1-benzylpyrrolidin-3-yl)amino]-2-keto-ethyl] ester Formula: C20H20ClFN2O3 MolecularWeight: 390.835803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)COC(=O)C2=C(C=C(C=C2)Cl)F)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC1NC(=O)COC(=O)C2=C(C=C(C=C2)Cl)F)CC3=CC=CC=C3

InChI

InChI=1S/C20H20ClFN2O3/c21-15-6-7-17(18(22)10-15)20(26)27-13-19(25)23-16-8-9-24(12-16)11-14-4-2-1-3-5-14/h1-7,10,16H,8-9,11-13H2,(H,23,25)