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

Systemtic Name: 1-[1-(5-bromanyl-2-ethoxy-phenyl)ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(5-bromo-2-ethoxy-phenyl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(5-bromo-2-ethoxyphenyl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(5-bromo-2-ethoxyphenyl)ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(5-bromo-2-ethoxy-phenyl)ethyl]nipecotic acid Formula: C16H22BrNO3 MolecularWeight: 356.25478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C)N2CCCC(C2)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C16H22BrNO3/c1-3-21-15-7-6-13(17)9-14(15)11(2)18-8-4-5-12(10-18)16(19)20/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,19,20)