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

Systemtic Name: 4-[5-ethanoyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[5-acetyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine-1-carboxylic acid CAS Name: 4-[5-acetyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[5-acetyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine-1-carboxylic acid Traditional Name: 4-[5-acetyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine-1-carboxylic acid Formula: C23H34N2O3 MolecularWeight: 386.52766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)C2CC(CC(C2)(C)C)(C)C)N3CCN(CC3)C(=O)O

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)C2CC(CC(C2)(C)C)(C)C)N3CCN(CC3)C(=O)O

InChI

InChI=1S/C23H34N2O3/c1-16(26)17-6-7-19(18-13-22(2,3)15-23(4,5)14-18)20(12-17)24-8-10-25(11-9-24)21(27)28/h6-7,12,18H,8-11,13-15H2,1-5H3,(H,27,28)