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

Systemtic Name: 1-[1-(5-bromanyl-2-ethoxy-phenyl)propyl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(5-bromo-2-ethoxy-phenyl)propyl]piperidine-4-carboxylic acid CAS Name: 1-[1-(5-bromo-2-ethoxyphenyl)propyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(5-bromo-2-ethoxyphenyl)propyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(5-bromo-2-ethoxy-phenyl)propyl]isonipecotic acid Formula: C17H24BrNO3 MolecularWeight: 370.28136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24BrNO3/c1-3-15(19-9-7-12(8-10-19)17(20)21)14-11-13(18)5-6-16(14)22-4-2/h5-6,11-12,15H,3-4,7-10H2,1-2H3,(H,20,21)