[2-oxidanylidene-2-(propan-2-ylamino)ethyl] (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinecarboxylic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-pyrrolidine-3-carboxylic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C18H22N2O6 MolecularWeight: 362.37708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1CC(=O)N(C1)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)NC(=O)COC(=O)[C@H]1CC(=O)N(C1)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H22N2O6/c1-11(2)19-16(21)10-26-18(23)12-7-17(22)20(9-12)13-3-4-14-15(8-13)25-6-5-24-14/h3-4,8,11-12H,5-7,9-10H2,1-2H3,(H,19,21)/t12-/m0/s1