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

Systemtic Name: tert-butyl 4-[4-cyano-4-(3-phenylmethoxyphenyl)cyclohexyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(3-benzyloxyphenyl)-4-cyano-cyclohexyl]piperazine-1-carboxylate CAS Name: 4-[4-cyano-4-(3-phenylmethoxyphenyl)cyclohexyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-cyano-4-(3-phenylmethoxyphenyl)cyclohexyl]piperazine-1-carboxylate Traditional Name: 4-[4-(3-benzoxyphenyl)-4-cyano-cyclohexyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C29H37N3O3 MolecularWeight: 475.62238

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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)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2CCC(CC2)(C#N)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C29H37N3O3/c1-28(2,3)35-27(33)32-18-16-31(17-19-32)25-12-14-29(22-30,15-13-25)24-10-7-11-26(20-24)34-21-23-8-5-4-6-9-23/h4-11,20,25H,12-19,21H2,1-3H3