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1-[(4-iodophenyl)methyl]piperidine-3-carboxylic acid

1-[(4-iodophenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name:1-[(4-iodophenyl)methyl]piperidine-3-carboxylic acid
Openeye Name:1-[(4-iodophenyl)methyl]piperidine-3-carboxylic acid
CAS Name:1-[(4-iodophenyl)methyl]-3-piperidinecarboxylic acid
IUPAC Name:1-[(4-iodophenyl)methyl]piperidine-3-carboxylic acid
Traditional Name:1-(4-iodobenzyl)nipecotic acid
Formula: C13H16INO2
MolecularWeight: 345.17611
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=C(C=C2)I)C(=O)O


Isomeric SMILES

C1CC(CN(C1)CC2=CC=C(C=C2)I)C(=O)O


InChI

InChI=1S/C13H16INO2/c14-12-5-3-10(4-6-12)8-15-7-1-2-11(9-15)13(16)17/h3-6,11H,1-2,7-9H2,(H,16,17)


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