[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: [1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: [2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylamino)-1-oxopropan-2-yl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H19NO5 MolecularWeight: 305.32576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C(=O)NC1CC1)OC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C16H19NO5/c1-10(15(18)17-12-4-5-12)22-16(19)11-3-6-13-14(9-11)21-8-2-7-20-13/h3,6,9-10,12H,2,4-5,7-8H2,1H3,(H,17,18)