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

Systemtic Name: (2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: (2-methoxy-2-oxo-1-phenyl-ethyl) 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 (2-methoxy-2-oxo-1-phenylethyl) ester IUPAC Name: (2-methoxy-2-oxo-1-phenylethyl) 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 (2-keto-2-methoxy-1-phenyl-ethyl) ester Formula: C19H17ClO6 MolecularWeight: 376.78768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)OC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)OC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C19H17ClO6/c1-23-19(22)16(12-6-3-2-4-7-12)26-18(21)13-10-14(20)17-15(11-13)24-8-5-9-25-17/h2-4,6-7,10-11,16H,5,8-9H2,1H3