1-[(4-tert-butylphenyl)-pyridin-3-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-tert-butylphenyl)-pyridin-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-tert-butylphenyl)-(3-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-tert-butylphenyl)-(3-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-tert-butylphenyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-tert-butylphenyl)-(3-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=CN=CC=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

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

InChI

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