tert-butyl 4-[4-[(5,5-dimethyl-2-oxidanylidene-cyclohexyl)methyl]piperazin-1-yl]benzoate

Systemtic Name: tert-butyl 4-[4-[(5,5-dimethyl-2-oxidanylidene-cyclohexyl)methyl]piperazin-1-yl]benzoate Openeye Name: tert-butyl 4-[4-[(5,5-dimethyl-2-oxo-cyclohexyl)methyl]piperazin-1-yl]benzoate CAS Name: 4-[4-[(5,5-dimethyl-2-oxocyclohexyl)methyl]-1-piperazinyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(5,5-dimethyl-2-oxocyclohexyl)methyl]piperazin-1-yl]benzoate Traditional Name: 4-[4-[(2-keto-5,5-dimethyl-cyclohexyl)methyl]piperazino]benzoic acid tert-butyl ester Formula: C24H36N2O3 MolecularWeight: 400.55424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(CCC(=O)C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C24H36N2O3/c1-23(2,3)29-22(28)18-6-8-20(9-7-18)26-14-12-25(13-15-26)17-19-16-24(4,5)11-10-21(19)27/h6-9,19H,10-17H2,1-5H3