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

Systemtic Name: 1-[(4-tert-butylphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-tert-butylphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-tert-butylphenyl)-(1-methyl-2-imidazolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-tert-butylphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-tert-butylphenyl)-(1-methylimidazol-2-yl)methyl]isonipecotic acid Formula: C21H29N3O2 MolecularWeight: 355.47386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C2=NC=CN2C)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(C2=NC=CN2C)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H29N3O2/c1-21(2,3)17-7-5-15(6-8-17)18(19-22-11-14-23(19)4)24-12-9-16(10-13-24)20(25)26/h5-8,11,14,16,18H,9-10,12-13H2,1-4H3,(H,25,26)