1-[1-(5-bromanyl-2-ethoxy-phenyl)pentyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-(5-bromanyl-2-ethoxy-phenyl)pentyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(5-bromo-2-ethoxy-phenyl)pentyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(5-bromo-2-ethoxyphenyl)pentyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(5-bromo-2-ethoxyphenyl)pentyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(5-bromo-2-ethoxy-phenyl)pentyl]nipecotic acid Formula: C19H28BrNO3 MolecularWeight: 398.33452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28BrNO3/c1-3-5-8-17(21-11-6-7-14(13-21)19(22)23)16-12-15(20)9-10-18(16)24-4-2/h9-10,12,14,17H,3-8,11,13H2,1-2H3,(H,22,23)