1-[(2-ethoxy-4,5-dimethyl-phenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-ethoxy-4,5-dimethyl-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-ethoxy-4,5-dimethyl-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-ethoxy-4,5-dimethylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-ethoxy-4,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-(2-ethoxy-4,5-dimethyl-benzyl)nipecotic acid Formula: C17H25NO3 MolecularWeight: 291.3853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C)C)CN2CCCC(C2)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C)C)CN2CCCC(C2)C(=O)O

InChI

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