methyl (2R)-1-[bis(1,3-benzodioxol-5-yl)methyl]-5-oxidanylidene-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2R)-1-[bis(1,3-benzodioxol-5-yl)methyl]-5-oxidanylidene-pyrrolidine-2-carboxylate Openeye Name: methyl (2R)-1-[bis(1,3-benzodioxol-5-yl)methyl]-5-oxo-pyrrolidine-2-carboxylate CAS Name: (2R)-1-[bis(1,3-benzodioxol-5-yl)methyl]-5-oxo-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[bis(1,3-benzodioxol-5-yl)methyl]-5-oxopyrrolidine-2-carboxylate Traditional Name: (2R)-1-[bis(1,3-benzodioxol-5-yl)methyl]-5-keto-pyrrolidine-2-carboxylic acid methyl ester Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(=O)N1C(C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)[C@H]1CCC(=O)N1C(C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H19NO7/c1-25-21(24)14-4-7-19(23)22(14)20(12-2-5-15-17(8-12)28-10-26-15)13-3-6-16-18(9-13)29-11-27-16/h2-3,5-6,8-9,14,20H,4,7,10-11H2,1H3/t14-/m1/s1