methyl 1-[2-[[1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]propanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[[1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]propanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[[1-(1,3-benzodioxol-5-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[[[1-(1,3-benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[1-(1,3-benzodioxol-5-yl)-5-keto-pyrrolidine-3-carbonyl]amino]propanoyl]isonipecotic acid methyl ester Formula: C22H27N3O7 MolecularWeight: 445.46568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)C(=O)OC)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C(=O)N1CCC(CC1)C(=O)OC)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O7/c1-13(21(28)24-7-5-14(6-8-24)22(29)30-2)23-20(27)15-9-19(26)25(11-15)16-3-4-17-18(10-16)32-12-31-17/h3-4,10,13-15H,5-9,11-12H2,1-2H3,(H,23,27)