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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CC=CO2)N3CCCCC3C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC=CO2)N3CCCCC3C(=O)O)Br)OC

InChI

InChI=1S/C19H22BrNO5/c1-24-16-10-12(13(20)11-17(16)25-2)18(15-7-5-9-26-15)21-8-4-3-6-14(21)19(22)23/h5,7,9-11,14,18H,3-4,6,8H2,1-2H3,(H,22,23)