4-[4-bromanyl-2-(4,4-dimethylcyclohexyl)phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[4-bromanyl-2-(4,4-dimethylcyclohexyl)phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[4-bromo-2-(4,4-dimethylcyclohexyl)phenyl]piperazine-1-carboxylic acid CAS Name: 4-[4-bromo-2-(4,4-dimethylcyclohexyl)phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[4-bromo-2-(4,4-dimethylcyclohexyl)phenyl]piperazine-1-carboxylic acid Traditional Name: 4-[4-bromo-2-(4,4-dimethylcyclohexyl)phenyl]piperazine-1-carboxylic acid Formula: C19H27BrN2O2 MolecularWeight: 395.33388

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)C2=C(C=CC(=C2)Br)N3CCN(CC3)C(=O)O)C

Isomeric SMILES

CC1(CCC(CC1)C2=C(C=CC(=C2)Br)N3CCN(CC3)C(=O)O)C

InChI

InChI=1S/C19H27BrN2O2/c1-19(2)7-5-14(6-8-19)16-13-15(20)3-4-17(16)21-9-11-22(12-10-21)18(23)24/h3-4,13-14H,5-12H2,1-2H3,(H,23,24)