(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(4-fluorophenyl)ethanoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(4-fluorophenyl)ethanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(4-fluorophenyl)acetate CAS Name: 2-(4-fluorophenyl)acetic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(4-fluorophenyl)acetate Traditional Name: 2-(4-fluorophenyl)acetic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C18H16ClFO4 MolecularWeight: 350.768643

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)CC3=CC=C(C=C3)F)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)CC3=CC=C(C=C3)F)Cl)OC1

InChI

InChI=1S/C18H16ClFO4/c19-15-8-13(9-16-18(15)23-7-1-6-22-16)11-24-17(21)10-12-2-4-14(20)5-3-12/h2-5,8-9H,1,6-7,10-11H2