(2R,5S,6S)-5-methyl-6-[4-(2-phenylethynyl)phenyl]piperidine-2-carboxylic acid

Systemtic Name: (2R,5S,6S)-5-methyl-6-[4-(2-phenylethynyl)phenyl]piperidine-2-carboxylic acid Openeye Name: (2R,5S,6S)-5-methyl-6-[4-(2-phenylethynyl)phenyl]piperidine-2-carboxylic acid CAS Name: (2R,5S,6S)-5-methyl-6-[4-(2-phenylethynyl)phenyl]-2-piperidinecarboxylic acid IUPAC Name: (2R,5S,6S)-5-methyl-6-[4-(2-phenylethynyl)phenyl]piperidine-2-carboxylic acid Traditional Name: (2R,5S,6S)-5-methyl-6-[4-(2-phenylethynyl)phenyl]pipecolinic acid Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(NC1C2=CC=C(C=C2)C#CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C[C@H]1CC[C@@H](N[C@@H]1C2=CC=C(C=C2)C#CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H21NO2/c1-15-7-14-19(21(23)24)22-20(15)18-12-10-17(11-13-18)9-8-16-5-3-2-4-6-16/h2-6,10-13,15,19-20,22H,7,14H2,1H3,(H,23,24)/t15-,19+,20-/m0/s1