methyl (2S)-1-[4-(4-oxidanylidenepiperidin-1-yl)phenyl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[4-(4-oxidanylidenepiperidin-1-yl)phenyl]carbonylpyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[4-(4-oxo-1-piperidyl)benzoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[oxo-[4-(4-oxo-1-piperidinyl)phenyl]methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[4-(4-oxopiperidin-1-yl)benzoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[4-(4-ketopiperidino)benzoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)C2=CC=C(C=C2)N3CCC(=O)CC3

Isomeric SMILES

COC(=O)[C@@H]1CCCN1C(=O)C2=CC=C(C=C2)N3CCC(=O)CC3

InChI

InChI=1S/C18H22N2O4/c1-24-18(23)16-3-2-10-20(16)17(22)13-4-6-14(7-5-13)19-11-8-15(21)9-12-19/h4-7,16H,2-3,8-12H2,1H3/t16-/m0/s1