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

Systemtic Name: 1-[(5-chloranyl-2-ethoxy-4-methyl-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-chloro-2-ethoxy-4-methyl-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-chloro-2-ethoxy-4-methylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-ethoxy-4-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-(5-chloro-2-ethoxy-4-methyl-benzyl)isonipecotic acid Formula: C16H22ClNO3 MolecularWeight: 311.80378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClNO3/c1-3-21-15-8-11(2)14(17)9-13(15)10-18-6-4-12(5-7-18)16(19)20/h8-9,12H,3-7,10H2,1-2H3,(H,19,20)