[2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]amino]-2-oxidanylidene-ethyl] 2,6-bis(fluoranyl)benzoate

Systemtic Name: [2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]amino]-2-oxidanylidene-ethyl] 2,6-bis(fluoranyl)benzoate Openeye Name: [2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]amino]-2-oxo-ethyl] 2,6-difluorobenzoate CAS Name: 2,6-difluorobenzoic acid [2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]amino]-2-oxoethyl] 2,6-difluorobenzoate Traditional Name: 2,6-difluorobenzoic acid [2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]amino]-2-keto-ethyl] ester Formula: C22H21F2NO5 MolecularWeight: 417.402646

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC3=C(C=C2)OCCO3)NC(=O)COC(=O)C4=C(C=CC=C4F)F

Isomeric SMILES

C1CCC(C1)(C2=CC3=C(C=C2)OCCO3)NC(=O)COC(=O)C4=C(C=CC=C4F)F

InChI

InChI=1S/C22H21F2NO5/c23-15-4-3-5-16(24)20(15)21(27)30-13-19(26)25-22(8-1-2-9-22)14-6-7-17-18(12-14)29-11-10-28-17/h3-7,12H,1-2,8-11,13H2,(H,25,26)