[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-butanoate CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-butyric acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H23NO6 MolecularWeight: 349.37832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)CCC(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)CCC(=O)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C18H23NO6/c1-3-19-18(22)12(2)25-17(21)8-6-14(20)13-5-7-15-16(11-13)24-10-4-9-23-15/h5,7,11-12H,3-4,6,8-10H2,1-2H3,(H,19,22)/t12-/m0/s1