ethyl 2-[[3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl(propan-2-yl)amino]methyl]cyclopropane-1-carboxylate

Systemtic Name: ethyl 2-[[3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl(propan-2-yl)amino]methyl]cyclopropane-1-carboxylate Openeye Name: ethyl 2-[[3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl(isopropyl)amino]methyl]cyclopropanecarboxylate CAS Name: 2-[[[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(oxo)methyl]-propan-2-ylamino]methyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl(propan-2-yl)amino]methyl]cyclopropane-1-carboxylate Traditional Name: 2-[[3,4-dihydro-2H-1,5-benzodioxepin-7-carbonyl(isopropyl)amino]methyl]cyclopropanecarboxylic acid ethyl ester Formula: C20H27NO5 MolecularWeight: 361.43208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC1CN(C(C)C)C(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCOC(=O)C1CC1CN(C(C)C)C(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H27NO5/c1-4-24-20(23)16-10-15(16)12-21(13(2)3)19(22)14-6-7-17-18(11-14)26-9-5-8-25-17/h6-7,11,13,15-16H,4-5,8-10,12H2,1-3H3