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

Systemtic Name: 1-[2-(2-bromanyl-4-methyl-phenoxy)ethanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(2-bromo-4-methyl-phenoxy)acetyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(2-bromo-4-methylphenoxy)acetyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(2-bromo-4-methyl-phenoxy)acetyl]nipecotic acid Formula: C15H18BrNO4 MolecularWeight: 356.21172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)N2CCCC(C2)C(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)N2CCCC(C2)C(=O)O)Br

InChI

InChI=1S/C15H18BrNO4/c1-10-4-5-13(12(16)7-10)21-9-14(18)17-6-2-3-11(8-17)15(19)20/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,19,20)