(3-fluoranyl-4-methoxy-phenyl)methyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C18H16ClFO5 MolecularWeight: 366.768043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClFO5/c1-22-15-4-3-11(7-14(15)20)10-25-18(21)12-8-13(19)17-16(9-12)23-5-2-6-24-17/h3-4,7-9H,2,5-6,10H2,1H3