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

Systemtic Name: 4-[5-oxidanyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[5-hydroxy-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine-1-carboxylic acid CAS Name: 4-[5-hydroxy-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[5-hydroxy-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine-1-carboxylic acid Traditional Name: 4-[5-hydroxy-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine-1-carboxylic acid Formula: C21H32N2O3 MolecularWeight: 360.49038

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(C1)(C)C)C2=C(C=C(C=C2)O)N3CCN(CC3)C(=O)O)C

Isomeric SMILES

CC1(CC(CC(C1)(C)C)C2=C(C=C(C=C2)O)N3CCN(CC3)C(=O)O)C

InChI

InChI=1S/C21H32N2O3/c1-20(2)12-15(13-21(3,4)14-20)17-6-5-16(24)11-18(17)22-7-9-23(10-8-22)19(25)26/h5-6,11,15,24H,7-10,12-14H2,1-4H3,(H,25,26)