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

Systemtic Name: 1-[2-[[1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]propanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[[1-(1,3-benzodioxol-5-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[[1-(1,3-benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[1-(1,3-benzodioxol-5-yl)-5-keto-pyrrolidine-3-carbonyl]amino]propanoyl]isonipecotic acid Formula: C21H25N3O7 MolecularWeight: 431.4391

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O7/c1-12(20(27)23-6-4-13(5-7-23)21(28)29)22-19(26)14-8-18(25)24(10-14)15-2-3-16-17(9-15)31-11-30-16/h2-3,9,12-14H,4-8,10-11H2,1H3,(H,22,26)(H,28,29)