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

Systemtic Name: 1-[(2-bromanyl-3,4,5-trimethoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-bromo-3,4,5-trimethoxy-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-(2-bromo-3,4,5-trimethoxy-benzyl)isonipecotic acid Formula: C16H22BrNO5 MolecularWeight: 388.25358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22BrNO5/c1-21-12-8-11(13(17)15(23-3)14(12)22-2)9-18-6-4-10(5-7-18)16(19)20/h8,10H,4-7,9H2,1-3H3,(H,19,20)