(2-chloranyl-6-fluoranyl-phenyl)methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-butanoate CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-butyric acid (2-chloro-6-fluoro-benzyl) ester Formula: C20H18ClFO5 MolecularWeight: 392.805323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)OCC3=C(C=CC=C3Cl)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)OCC3=C(C=CC=C3Cl)F)OC1

InChI

InChI=1S/C20H18ClFO5/c21-15-3-1-4-16(22)14(15)12-27-20(24)8-6-17(23)13-5-7-18-19(11-13)26-10-2-9-25-18/h1,3-5,7,11H,2,6,8-10,12H2