[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2,4-bis(fluoranyl)benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2,4-bis(fluoranyl)benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2,4-difluorobenzoate CAS Name: 2,4-difluorobenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2,4-difluorobenzoate Traditional Name: 2,4-difluorobenzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C15H17F2NO3 MolecularWeight: 297.297186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=C(C=C(C=C2)F)F

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=C(C=C(C=C2)F)F

InChI

InChI=1S/C15H17F2NO3/c16-11-5-6-12(13(17)9-11)15(20)21-10-14(19)18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,10H2