methyl 1-[(2S)-5-oxidanylidene-1-(3-oxidanylidene-1H-2-benzofuran-1-yl)pyrrolidin-2-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[(2S)-5-oxidanylidene-1-(3-oxidanylidene-1H-2-benzofuran-1-yl)pyrrolidin-2-yl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[(2S)-5-oxo-1-(3-oxo-1H-isobenzofuran-1-yl)pyrrolidine-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[(2S)-5-oxo-1-(3-oxo-1H-isobenzofuran-1-yl)-2-pyrrolidinyl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2S)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-5-keto-1-phthalidyl-prolyl]isonipecotic acid methyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2CCC(=O)N2C3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)[C@@H]2CCC(=O)N2C3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C20H22N2O6/c1-27-19(25)12-8-10-21(11-9-12)17(24)15-6-7-16(23)22(15)18-13-4-2-3-5-14(13)20(26)28-18/h2-5,12,15,18H,6-11H2,1H3/t15-,18?/m0/s1