(3S)-1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[(4-tert-butylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-(4-tert-butylbenzyl)nipecotic acid Formula: C17H25NO2 MolecularWeight: 275.3859

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCCC(C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCC[C@@H](C2)C(=O)O

InChI

InChI=1S/C17H25NO2/c1-17(2,3)15-8-6-13(7-9-15)11-18-10-4-5-14(12-18)16(19)20/h6-9,14H,4-5,10-12H2,1-3H3,(H,19,20)/t14-/m0/s1