1-[(3-chloranyl-2-methoxy-5-methyl-phenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-chloranyl-2-methoxy-5-methyl-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-chloro-2-methoxy-5-methyl-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-chloro-2-methoxy-5-methylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-chloro-2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-(3-chloro-2-methoxy-5-methyl-benzyl)isonipecotic acid Formula: C15H20ClNO3 MolecularWeight: 297.7772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)OC)CN2CCC(CC2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)OC)CN2CCC(CC2)C(=O)O

InChI

InChI=1S/C15H20ClNO3/c1-10-7-12(14(20-2)13(16)8-10)9-17-5-3-11(4-6-17)15(18)19/h7-8,11H,3-6,9H2,1-2H3,(H,18,19)