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

Systemtic Name: 1-[(3-chloranyl-2-methyl-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-chloro-2-methyl-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-chloro-2-methylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-chloro-2-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-(3-chloro-2-methyl-benzyl)isonipecotic acid Formula: C14H18ClNO2 MolecularWeight: 267.75122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)CN2CCC(CC2)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1Cl)CN2CCC(CC2)C(=O)O

InChI

InChI=1S/C14H18ClNO2/c1-10-12(3-2-4-13(10)15)9-16-7-5-11(6-8-16)14(17)18/h2-4,11H,5-9H2,1H3,(H,17,18)