[(2R)-1-[[3,4-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate

Systemtic Name: [(2R)-1-[[3,4-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Openeye Name: [(1R)-2-(3,4-difluoroanilino)-1-methyl-2-oxo-ethyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-propenoic acid [(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acrylic acid [(1R)-2-(3,4-difluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H19F2NO5 MolecularWeight: 403.376066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)F)OC(=O)C=CC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)F)F)OC(=O)/C=C/C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H19F2NO5/c1-13(21(26)24-15-5-6-16(22)17(23)12-15)29-20(25)8-4-14-3-7-18-19(11-14)28-10-2-9-27-18/h3-8,11-13H,2,9-10H2,1H3,(H,24,26)/b8-4+/t13-/m1/s1