(4-oxidanylidene-4-phenyl-butyl) 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: (4-oxidanylidene-4-phenyl-butyl) 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: (4-oxo-4-phenyl-butyl) 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 (4-oxo-4-phenylbutyl) ester IUPAC Name: (4-oxo-4-phenylbutyl) 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 (4-keto-4-phenyl-butyl) ester Formula: C20H19ClO5 MolecularWeight: 374.81486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)OCCCC(=O)C3=CC=CC=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)OCCCC(=O)C3=CC=CC=C3)Cl)OC1

InChI

InChI=1S/C20H19ClO5/c21-16-12-15(13-18-19(16)25-11-5-10-24-18)20(23)26-9-4-8-17(22)14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2