[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-benzo[e][1]benzofuran-1-ylethanoate

Systemtic Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-benzo[e][1]benzofuran-1-ylethanoate Openeye Name: [(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2-benzo[e]benzofuran-1-ylacetate CAS Name: 2-(1-benzo[e]benzofuranyl)acetic acid [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-benzo[e][1]benzofuran-1-ylacetate Traditional Name: 2-benzo[e]benzofuran-1-ylacetic acid [(1S)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C25H21NO6 MolecularWeight: 431.43734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CC3=COC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CC3=COC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C25H21NO6/c1-15(25(28)26-12-16-6-8-20-22(10-16)31-14-30-20)32-23(27)11-18-13-29-21-9-7-17-4-2-3-5-19(17)24(18)21/h2-10,13,15H,11-12,14H2,1H3,(H,26,28)/t15-/m0/s1