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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)Br)CN2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1)Br)CN2CCCC(C2)C(=O)O

InChI

InChI=1S/C14H18BrNO2/c1-10-5-11(7-13(15)6-10)8-16-4-2-3-12(9-16)14(17)18/h5-7,12H,2-4,8-9H2,1H3,(H,17,18)