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

Systemtic Name: 1-[[3,5-bis(bromanyl)-2-methoxy-phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,5-dibromo-2-methoxy-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dibromo-2-methoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-(3,5-dibromo-2-methoxy-benzyl)isonipecotic acid Formula: C14H17Br2NO3 MolecularWeight: 407.09768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1CN2CCC(CC2)C(=O)O)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1CN2CCC(CC2)C(=O)O)Br)Br

InChI

InChI=1S/C14H17Br2NO3/c1-20-13-10(6-11(15)7-12(13)16)8-17-4-2-9(3-5-17)14(18)19/h6-7,9H,2-5,8H2,1H3,(H,18,19)