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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-(2-bromo-4,5-dimethoxy-benzyl)isonipecotic acid Formula: C15H20BrNO4 MolecularWeight: 358.2276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2CCC(CC2)C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2CCC(CC2)C(=O)O)Br)OC

InChI

InChI=1S/C15H20BrNO4/c1-20-13-7-11(12(16)8-14(13)21-2)9-17-5-3-10(4-6-17)15(18)19/h7-8,10H,3-6,9H2,1-2H3,(H,18,19)