(2S,3S)-6-oxidanylidene-1-phenethyl-2-phenyl-piperidine-3-carboxylic acid

Systemtic Name: (2S,3S)-6-oxidanylidene-1-phenethyl-2-phenyl-piperidine-3-carboxylic acid Openeye Name: (2S,3S)-6-oxo-1-phenethyl-2-phenyl-piperidine-3-carboxylic acid CAS Name: (2S,3S)-6-oxo-1-phenethyl-2-phenyl-3-piperidinecarboxylic acid IUPAC Name: (2S,3S)-6-oxo-1-phenethyl-2-phenylpiperidine-3-carboxylic acid Traditional Name: (2S,3S)-6-keto-1-phenethyl-2-phenyl-nipecotic acid Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C(C1C(=O)O)C2=CC=CC=C2)CCC3=CC=CC=C3

Isomeric SMILES

C1CC(=O)N([C@@H]([C@H]1C(=O)O)C2=CC=CC=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C20H21NO3/c22-18-12-11-17(20(23)24)19(16-9-5-2-6-10-16)21(18)14-13-15-7-3-1-4-8-15/h1-10,17,19H,11-14H2,(H,23,24)/t17-,19+/m0/s1