[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-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-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 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-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H19ClN2O6 MolecularWeight: 418.82766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)OCC(=O)NC(=O)NCC3=CC=CC=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)OCC(=O)NC(=O)NCC3=CC=CC=C3)Cl)OC1

InChI

InChI=1S/C20H19ClN2O6/c21-15-9-14(10-16-18(15)28-8-4-7-27-16)19(25)29-12-17(24)23-20(26)22-11-13-5-2-1-3-6-13/h1-3,5-6,9-10H,4,7-8,11-12H2,(H2,22,23,24,26)