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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C)C)CN2CCC(CC2)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C)C)CN2CCC(CC2)C(=O)O

InChI

InChI=1S/C17H25NO3/c1-4-21-16-10-13(3)12(2)9-15(16)11-18-7-5-14(6-8-18)17(19)20/h9-10,14H,4-8,11H2,1-3H3,(H,19,20)