methyl (2S,5S,6S)-5-methyl-6-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]piperidine-2-carboxylate

Systemtic Name: methyl (2S,5S,6S)-5-methyl-6-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]piperidine-2-carboxylate Openeye Name: methyl (2S,5S,6S)-5-methyl-6-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxylate CAS Name: (2S,5S,6S)-5-methyl-6-[3-(2-oxo-1-pyrrolidinyl)phenyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,5S,6S)-5-methyl-6-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxylate Traditional Name: (2S,5S,6S)-6-[3-(2-ketopyrrolidino)phenyl]-5-methyl-pipecolinic acid methyl ester Formula: C18H24N2O3 MolecularWeight: 316.39476

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(NC1C2=CC(=CC=C2)N3CCCC3=O)C(=O)OC

Isomeric SMILES

C[C@H]1CC[C@H](N[C@@H]1C2=CC(=CC=C2)N3CCCC3=O)C(=O)OC

InChI

InChI=1S/C18H24N2O3/c1-12-8-9-15(18(22)23-2)19-17(12)13-5-3-6-14(11-13)20-10-4-7-16(20)21/h3,5-6,11-12,15,17,19H,4,7-10H2,1-2H3/t12-,15-,17-/m0/s1