methyl (2S,3R,5S)-5-methyl-6-oxidanylidene-2-phenyl-piperidine-3-carboxylate

Systemtic Name: methyl (2S,3R,5S)-5-methyl-6-oxidanylidene-2-phenyl-piperidine-3-carboxylate Openeye Name: methyl (2S,3R,5S)-5-methyl-6-oxo-2-phenyl-piperidine-3-carboxylate CAS Name: (2S,3R,5S)-5-methyl-6-oxo-2-phenyl-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,3R,5S)-5-methyl-6-oxo-2-phenylpiperidine-3-carboxylate Traditional Name: (2S,3R,5S)-6-keto-5-methyl-2-phenyl-nipecotic acid methyl ester Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(NC1=O)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

C[C@H]1C[C@H]([C@H](NC1=O)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C14H17NO3/c1-9-8-11(14(17)18-2)12(15-13(9)16)10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3,(H,15,16)/t9-,11+,12+/m0/s1