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

Systemtic Name: 1-[2-[[1-(4-methoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]propanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[[1-(4-methoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[[1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[5-keto-1-(4-methoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoyl]isonipecotic acid Formula: C21H27N3O6 MolecularWeight: 417.45558

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6/c1-13(20(27)23-9-7-14(8-10-23)21(28)29)22-19(26)15-11-18(25)24(12-15)16-3-5-17(30-2)6-4-16/h3-6,13-15H,7-12H2,1-2H3,(H,22,26)(H,28,29)