[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-[bis(fluoranyl)methoxy]-3-ethoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-[bis(fluoranyl)methoxy]-3-ethoxy-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-(difluoromethoxy)-3-ethoxy-benzoate CAS Name: 4-(difluoromethoxy)-3-ethoxybenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-(difluoromethoxy)-3-ethoxybenzoate Traditional Name: 4-(difluoromethoxy)-3-ethoxy-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C15H15F2NO5 MolecularWeight: 327.280106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)NCC#C)OC(F)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)NCC#C)OC(F)F

InChI

InChI=1S/C15H15F2NO5/c1-3-7-18-13(19)9-22-14(20)10-5-6-11(23-15(16)17)12(8-10)21-4-2/h1,5-6,8,15H,4,7,9H2,2H3,(H,18,19)