4-[4-methyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[4-methyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[4-methyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine-1-carboxylic acid CAS Name: 4-[4-methyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[4-methyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine-1-carboxylic acid Traditional Name: 4-[4-methyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine-1-carboxylic acid Formula: C22H34N2O2 MolecularWeight: 358.51756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)O)C3CC(CC(C3)(C)C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)O)C3CC(CC(C3)(C)C)(C)C

InChI

InChI=1S/C22H34N2O2/c1-16-6-7-19(23-8-10-24(11-9-23)20(25)26)18(12-16)17-13-21(2,3)15-22(4,5)14-17/h6-7,12,17H,8-11,13-15H2,1-5H3,(H,25,26)