ethyl (3S)-1-[3-[(2S)-2-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidin-2-yl]propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[3-[(2S)-2-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidin-2-yl]propanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[3-[(2S)-2-(2-furylmethyl)-5-oxo-pyrrolidin-2-yl]propanoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[3-[(2S)-2-(2-furanylmethyl)-5-oxo-2-pyrrolidinyl]-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[3-[(2S)-2-(2-furfuryl)-5-keto-pyrrolidin-2-yl]propanoyl]nipecotic acid ethyl ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCC2(CCC(=O)N2)CC3=CC=CO3

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)CC[C@@]2(CCC(=O)N2)CC3=CC=CO3

InChI

InChI=1S/C20H28N2O5/c1-2-26-19(25)15-5-3-11-22(14-15)18(24)8-10-20(9-7-17(23)21-20)13-16-6-4-12-27-16/h4,6,12,15H,2-3,5,7-11,13-14H2,1H3,(H,21,23)/t15-,20-/m0/s1