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

Systemtic Name: 1-(4-bromanyl-2-methyl-phenyl)carbonylpiperidine-4-carboxylic acid Openeye Name: 1-(4-bromo-2-methyl-benzoyl)piperidine-4-carboxylic acid CAS Name: 1-[(4-bromo-2-methylphenyl)-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(4-bromo-2-methylbenzoyl)piperidine-4-carboxylic acid Traditional Name: 1-(4-bromo-2-methyl-benzoyl)isonipecotic 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)N2CCC(CC2)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)C(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C14H16BrNO3/c1-9-8-11(15)2-3-12(9)13(17)16-6-4-10(5-7-16)14(18)19/h2-3,8,10H,4-7H2,1H3,(H,18,19)