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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-benzo[e][1]benzofuran-1-ylethanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 2-benzo[e]benzofuran-1-ylacetate CAS Name: 2-(1-benzo[e]benzofuranyl)acetic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate Traditional Name: 2-benzo[e]benzofuran-1-ylacetic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO4/c1-3-10-21-20(23)13(2)25-18(22)11-15-12-24-17-9-8-14-6-4-5-7-16(14)19(15)17/h4-9,12-13H,3,10-11H2,1-2H3,(H,21,23)/t13-/m0/s1