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

Systemtic Name: (2R,3S)-1-butyl-6-oxidanylidene-2-phenyl-piperidine-3-carboxylic acid Openeye Name: (2R,3S)-1-butyl-6-oxo-2-phenyl-piperidine-3-carboxylic acid CAS Name: (2R,3S)-1-butyl-6-oxo-2-phenyl-3-piperidinecarboxylic acid IUPAC Name: (2R,3S)-1-butyl-6-oxo-2-phenylpiperidine-3-carboxylic acid Traditional Name: (2R,3S)-1-butyl-6-keto-2-phenyl-nipecotic acid Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCN1[C@H]([C@H](CCC1=O)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C16H21NO3/c1-2-3-11-17-14(18)10-9-13(16(19)20)15(17)12-7-5-4-6-8-12/h4-8,13,15H,2-3,9-11H2,1H3,(H,19,20)/t13-,15-/m0/s1