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

Systemtic Name: 1-[(3-bromanyl-5-methyl-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3-bromo-5-methyl-phenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-bromo-5-methylphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromo-5-methylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-(3-bromo-5-methyl-benzyl)pipecolinic acid Formula: C14H18BrNO2 MolecularWeight: 312.20222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)Br)CN2CCCCC2C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1)Br)CN2CCCCC2C(=O)O

InChI

InChI=1S/C14H18BrNO2/c1-10-6-11(8-12(15)7-10)9-16-5-3-2-4-13(16)14(17)18/h6-8,13H,2-5,9H2,1H3,(H,17,18)