1-[1-(5-bromanyl-2-ethoxy-phenyl)pentyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-(5-bromanyl-2-ethoxy-phenyl)pentyl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(5-bromo-2-ethoxy-phenyl)pentyl]piperidine-4-carboxylic acid CAS Name: 1-[1-(5-bromo-2-ethoxyphenyl)pentyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(5-bromo-2-ethoxyphenyl)pentyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(5-bromo-2-ethoxy-phenyl)pentyl]isonipecotic acid Formula: C19H28BrNO3 MolecularWeight: 398.33452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C(C=CC(=C1)Br)OCC)N2CCC(CC2)C(=O)O

Isomeric SMILES

CCCCC(C1=C(C=CC(=C1)Br)OCC)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C19H28BrNO3/c1-3-5-6-17(21-11-9-14(10-12-21)19(22)23)16-13-15(20)7-8-18(16)24-4-2/h7-8,13-14,17H,3-6,9-12H2,1-2H3,(H,22,23)