ethyl 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)propanoyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-2-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H25N3O6 MolecularWeight: 391.4183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(C)NC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H](C)NC(=O)C2COC3=CC=CC=C3O2

InChI

InChI=1S/C19H25N3O6/c1-3-26-19(25)22-10-8-21(9-11-22)18(24)13(2)20-17(23)16-12-27-14-6-4-5-7-15(14)28-16/h4-7,13,16H,3,8-12H2,1-2H3,(H,20,23)/t13-,16?/m0/s1