[(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-benzo[e][1]benzofuran-1-ylethanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-benzo[e][1]benzofuran-1-ylethanoate Openeye Name: [(1S)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-benzo[e]benzofuran-1-ylacetate CAS Name: 2-(1-benzo[e]benzofuranyl)acetic acid [(2S)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate Traditional Name: 2-benzo[e]benzofuran-1-ylacetic acid [(1S)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)OC(=O)CC1=COC2=C1C3=CC=CC=C3C=C2

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)OC(=O)CC1=COC2=C1C3=CC=CC=C3C=C2

InChI

InChI=1S/C21H22N2O5/c1-12(2)22-21(26)23-20(25)13(3)28-18(24)10-15-11-27-17-9-8-14-6-4-5-7-16(14)19(15)17/h4-9,11-13H,10H2,1-3H3,(H2,22,23,25,26)/t13-/m0/s1