[4-(4-fluorophenyl)carbonylphenyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: [4-(4-fluorophenyl)carbonylphenyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: [4-(4-fluorobenzoyl)phenyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [4-[(4-fluorophenyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-fluorobenzoyl)phenyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [4-(4-fluorobenzoyl)phenyl] ester Formula: C23H17FO5 MolecularWeight: 392.376483

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)F)OC1

InChI

InChI=1S/C23H17FO5/c24-18-7-2-15(3-8-18)22(25)16-4-9-19(10-5-16)29-23(26)17-6-11-20-21(14-17)28-13-1-12-27-20/h2-11,14H,1,12-13H2