(3-fluoranyl-4-methoxy-phenyl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C18H17FO5 MolecularWeight: 332.322983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2=CC3=C(C=C2)OCCCO3)F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2=CC3=C(C=C2)OCCCO3)F

InChI

InChI=1S/C18H17FO5/c1-21-15-5-3-12(9-14(15)19)11-24-18(20)13-4-6-16-17(10-13)23-8-2-7-22-16/h3-6,9-10H,2,7-8,11H2,1H3