1-[1-(2-bromanyl-4,5-dimethoxy-phenyl)pentyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-(2-bromanyl-4,5-dimethoxy-phenyl)pentyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(2-bromo-4,5-dimethoxy-phenyl)pentyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(2-bromo-4,5-dimethoxyphenyl)pentyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(2-bromo-4,5-dimethoxyphenyl)pentyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(2-bromo-4,5-dimethoxy-phenyl)pentyl]nipecotic acid Formula: C19H28BrNO4 MolecularWeight: 414.33392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC(=C(C=C1Br)OC)OC)N2CCCC(C2)C(=O)O

Isomeric SMILES

CCCCC(C1=CC(=C(C=C1Br)OC)OC)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C19H28BrNO4/c1-4-5-8-16(21-9-6-7-13(12-21)19(22)23)14-10-17(24-2)18(25-3)11-15(14)20/h10-11,13,16H,4-9,12H2,1-3H3,(H,22,23)