1-(4-bromanyl-2-methyl-phenyl)carbonylpiperidine-2-carboxylic acid

Systemtic Name: 1-(4-bromanyl-2-methyl-phenyl)carbonylpiperidine-2-carboxylic acid Openeye Name: 1-(4-bromo-2-methyl-benzoyl)piperidine-2-carboxylic acid CAS Name: 1-[(4-bromo-2-methylphenyl)-oxomethyl]-2-piperidinecarboxylic acid IUPAC Name: 1-(4-bromo-2-methylbenzoyl)piperidine-2-carboxylic acid Traditional Name: 1-(4-bromo-2-methyl-benzoyl)pipecolinic acid Formula: C14H16BrNO3 MolecularWeight: 326.18574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)C(=O)N2CCCCC2C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)C(=O)N2CCCCC2C(=O)O

InChI

InChI=1S/C14H16BrNO3/c1-9-8-10(15)5-6-11(9)13(17)16-7-3-2-4-12(16)14(18)19/h5-6,8,12H,2-4,7H2,1H3,(H,18,19)