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

Systemtic Name: 1-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2,4-dimethoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-(5-bromo-2,4-dimethoxy-benzyl)nipecotic acid Formula: C15H20BrNO4 MolecularWeight: 358.2276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CN2CCCC(C2)C(=O)O)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1CN2CCCC(C2)C(=O)O)Br)OC

InChI

InChI=1S/C15H20BrNO4/c1-20-13-7-14(21-2)12(16)6-11(13)9-17-5-3-4-10(8-17)15(18)19/h6-7,10H,3-5,8-9H2,1-2H3,(H,18,19)