1-[(2-ethoxy-4,6-dimethyl-phenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-ethoxy-4,6-dimethyl-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-ethoxy-4,6-dimethyl-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-ethoxy-4,6-dimethylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-ethoxy-4,6-dimethylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-(2-ethoxy-4,6-dimethyl-benzyl)nipecotic acid Formula: C17H25NO3 MolecularWeight: 291.3853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1CN2CCCC(C2)C(=O)O)C)C

Isomeric SMILES

CCOC1=CC(=CC(=C1CN2CCCC(C2)C(=O)O)C)C

InChI

InChI=1S/C17H25NO3/c1-4-21-16-9-12(2)8-13(3)15(16)11-18-7-5-6-14(10-18)17(19)20/h8-9,14H,4-7,10-11H2,1-3H3,(H,19,20)