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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-(5-bromo-2-methoxy-benzyl)nipecotic acid Formula: C14H18BrNO3 MolecularWeight: 328.20162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCCC(C2)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCCC(C2)C(=O)O

InChI

InChI=1S/C14H18BrNO3/c1-19-13-5-4-12(15)7-11(13)9-16-6-2-3-10(8-16)14(17)18/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,17,18)