tert-butyl 2-[1-oxidanyl-4-(phenylmethyl)-4-piperazin-1-yl-cyclohexyl]ethanoate

Systemtic Name: tert-butyl 2-[1-oxidanyl-4-(phenylmethyl)-4-piperazin-1-yl-cyclohexyl]ethanoate Openeye Name: tert-butyl 2-(4-benzyl-1-hydroxy-4-piperazin-1-yl-cyclohexyl)acetate CAS Name: 2-[1-hydroxy-4-(phenylmethyl)-4-(1-piperazinyl)cyclohexyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-benzyl-1-hydroxy-4-piperazin-1-ylcyclohexyl)acetate Traditional Name: 2-(4-benzyl-1-hydroxy-4-piperazino-cyclohexyl)acetic acid tert-butyl ester Formula: C23H36N2O3 MolecularWeight: 388.54354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1(CCC(CC1)(CC2=CC=CC=C2)N3CCNCC3)O

Isomeric SMILES

CC(C)(C)OC(=O)CC1(CCC(CC1)(CC2=CC=CC=C2)N3CCNCC3)O

InChI

InChI=1S/C23H36N2O3/c1-21(2,3)28-20(26)18-23(27)11-9-22(10-12-23,25-15-13-24-14-16-25)17-19-7-5-4-6-8-19/h4-8,24,27H,9-18H2,1-3H3