tert-butyl 4-[4-cyano-4-(3-hydroxyphenyl)cyclohexyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-cyano-4-(3-hydroxyphenyl)cyclohexyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-cyano-4-(3-hydroxyphenyl)cyclohexyl]piperazine-1-carboxylate CAS Name: 4-[4-cyano-4-(3-hydroxyphenyl)cyclohexyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-cyano-4-(3-hydroxyphenyl)cyclohexyl]piperazine-1-carboxylate Traditional Name: 4-[4-cyano-4-(3-hydroxyphenyl)cyclohexyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2CCC(CC2)(C#N)C3=CC(=CC=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2CCC(CC2)(C#N)C3=CC(=CC=C3)O

InChI

InChI=1S/C22H31N3O3/c1-21(2,3)28-20(27)25-13-11-24(12-14-25)18-7-9-22(16-23,10-8-18)17-5-4-6-19(26)15-17/h4-6,15,18,26H,7-14H2,1-3H3