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1-[(4-tert-butylphenyl)-pyridin-2-yl-methyl]piperidine-4-carboxylic acid

1-[(4-tert-butylphenyl)-pyridin-2-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name:1-[(4-tert-butylphenyl)-pyridin-2-yl-methyl]piperidine-4-carboxylic acid
Openeye Name:1-[(4-tert-butylphenyl)-(2-pyridyl)methyl]piperidine-4-carboxylic acid
CAS Name:1-[(4-tert-butylphenyl)-(2-pyridinyl)methyl]-4-piperidinecarboxylic acid
IUPAC Name:1-[(4-tert-butylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid
Traditional Name:1-[(4-tert-butylphenyl)-(2-pyridyl)methyl]isonipecotic acid
Formula: C22H28N2O2
MolecularWeight: 352.46992
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C2=CC=CC=N2)N3CCC(CC3)C(=O)O


Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(C2=CC=CC=N2)N3CCC(CC3)C(=O)O


InChI

InChI=1S/C22H28N2O2/c1-22(2,3)18-9-7-16(8-10-18)20(19-6-4-5-13-23-19)24-14-11-17(12-15-24)21(25)26/h4-10,13,17,20H,11-12,14-15H2,1-3H3,(H,25,26)


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