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

Systemtic Name: tert-butyl 2-[4-[4-(4-cyanophenyl)piperazin-1-yl]-1-oxidanyl-cyclohexyl]ethanoate Openeye Name: tert-butyl 2-[4-[4-(4-cyanophenyl)piperazin-1-yl]-1-hydroxy-cyclohexyl]acetate CAS Name: 2-[4-[4-(4-cyanophenyl)-1-piperazinyl]-1-hydroxycyclohexyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[4-(4-cyanophenyl)piperazin-1-yl]-1-hydroxycyclohexyl]acetate Traditional Name: 2-[4-[4-(4-cyanophenyl)piperazino]-1-hydroxy-cyclohexyl]acetic acid tert-butyl ester Formula: C23H33N3O3 MolecularWeight: 399.52642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1(CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)C#N)O

Isomeric SMILES

CC(C)(C)OC(=O)CC1(CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C23H33N3O3/c1-22(2,3)29-21(27)16-23(28)10-8-20(9-11-23)26-14-12-25(13-15-26)19-6-4-18(17-24)5-7-19/h4-7,20,28H,8-16H2,1-3H3