1-[[4-(2-methylpropoxy)phenyl]methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[[4-(2-methylpropoxy)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-isobutoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[[4-(2-methylpropoxy)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[[4-(2-methylpropoxy)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-(4-isobutoxybenzyl)nipecotic acid Formula: C17H25NO3 MolecularWeight: 291.3853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)CN2CCCC(C2)C(=O)O

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)CN2CCCC(C2)C(=O)O

InChI

InChI=1S/C17H25NO3/c1-13(2)12-21-16-7-5-14(6-8-16)10-18-9-3-4-15(11-18)17(19)20/h5-8,13,15H,3-4,9-12H2,1-2H3,(H,19,20)