1-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(4-bromo-2,6-dimethylphenoxy)-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]isonipecotic acid Formula: C16H20BrNO4 MolecularWeight: 370.2383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)N2CCC(CC2)C(=O)O)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)N2CCC(CC2)C(=O)O)C)Br

InChI

InChI=1S/C16H20BrNO4/c1-10-7-13(17)8-11(2)15(10)22-9-14(19)18-5-3-12(4-6-18)16(20)21/h7-8,12H,3-6,9H2,1-2H3,(H,20,21)