1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(furan-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(furan-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(2-furyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(2-furanyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(furan-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(2-furyl)methyl]isonipecotic acid Formula: C19H22BrNO5 MolecularWeight: 424.28568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CC=CO2)N3CCC(CC3)C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC=CO2)N3CCC(CC3)C(=O)O)Br)OC

InChI

InChI=1S/C19H22BrNO5/c1-24-16-10-13(14(20)11-17(16)25-2)18(15-4-3-9-26-15)21-7-5-12(6-8-21)19(22)23/h3-4,9-12,18H,5-8H2,1-2H3,(H,22,23)