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

Systemtic Name: 1-[2-[[1-(3,4-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]propanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[[1-(3,4-dimethoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[[1-(3,4-dimethoxyphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[1-(3,4-dimethoxyphenyl)-5-keto-pyrrolidine-3-carbonyl]amino]propanoyl]isonipecotic acid Formula: C22H29N3O7 MolecularWeight: 447.48156

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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=CC(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O7/c1-13(21(28)24-8-6-14(7-9-24)22(29)30)23-20(27)15-10-19(26)25(12-15)16-4-5-17(31-2)18(11-16)32-3/h4-5,11,13-15H,6-10,12H2,1-3H3,(H,23,27)(H,29,30)