1-[2-[2,4-bis(bromanyl)phenoxy]ethanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[2,4-bis(bromanyl)phenoxy]ethanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(2,4-dibromophenoxy)acetyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(2,4-dibromophenoxy)-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(2,4-dibromophenoxy)acetyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(2,4-dibromophenoxy)acetyl]nipecotic acid Formula: C14H15Br2NO4 MolecularWeight: 421.0812

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC2=C(C=C(C=C2)Br)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)COC2=C(C=C(C=C2)Br)Br)C(=O)O

InChI

InChI=1S/C14H15Br2NO4/c15-10-3-4-12(11(16)6-10)21-8-13(18)17-5-1-2-9(7-17)14(19)20/h3-4,6,9H,1-2,5,7-8H2,(H,19,20)