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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(2-bromo-4,5-dimethoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(2-bromo-4,5-dimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(2-bromo-4,5-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(2-bromo-4,5-dimethoxy-phenyl)methyl]nipecotic acid Formula: C22H24BrNO6 MolecularWeight: 478.33306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCC(C4)C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCC(C4)C(=O)O)Br)OC

InChI

InChI=1S/C22H24BrNO6/c1-27-18-9-15(16(23)10-19(18)28-2)21(24-7-3-4-14(11-24)22(25)26)13-5-6-17-20(8-13)30-12-29-17/h5-6,8-10,14,21H,3-4,7,11-12H2,1-2H3,(H,25,26)