1-[(4-tert-butylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-tert-butylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-tert-butylphenyl)-(4-methylthiazol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-tert-butylphenyl)-(4-methyl-2-thiazolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-tert-butylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-tert-butylphenyl)-(4-methylthiazol-2-yl)methyl]isonipecotic acid Formula: C21H28N2O2S MolecularWeight: 372.52422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C2=CC=C(C=C2)C(C)(C)C)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CSC(=N1)C(C2=CC=C(C=C2)C(C)(C)C)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H28N2O2S/c1-14-13-26-19(22-14)18(23-11-9-16(10-12-23)20(24)25)15-5-7-17(8-6-15)21(2,3)4/h5-8,13,16,18H,9-12H2,1-4H3,(H,24,25)