1-[(3-tert-butyl-5-methyl-phenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-tert-butyl-5-methyl-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-tert-butyl-5-methyl-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-tert-butyl-5-methylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-tert-butyl-5-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-(3-tert-butyl-5-methyl-benzyl)isonipecotic acid Formula: C18H27NO2 MolecularWeight: 289.41248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C)(C)C)CN2CCC(CC2)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1)C(C)(C)C)CN2CCC(CC2)C(=O)O

InChI

InChI=1S/C18H27NO2/c1-13-9-14(11-16(10-13)18(2,3)4)12-19-7-5-15(6-8-19)17(20)21/h9-11,15H,5-8,12H2,1-4H3,(H,20,21)