1-[(5-chloranyl-2-ethoxy-3-methyl-phenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-ethoxy-3-methyl-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-chloro-2-ethoxy-3-methyl-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-chloro-2-ethoxy-3-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-ethoxy-3-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-(5-chloro-2-ethoxy-3-methyl-benzyl)nipecotic acid Formula: C16H22ClNO3 MolecularWeight: 311.80378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C)Cl)CN2CCCC(C2)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1C)Cl)CN2CCCC(C2)C(=O)O

InChI

InChI=1S/C16H22ClNO3/c1-3-21-15-11(2)7-14(17)8-13(15)10-18-6-4-5-12(9-18)16(19)20/h7-8,12H,3-6,9-10H2,1-2H3,(H,19,20)