tert-butyl 4-[4-(1,3-benzodioxol-5-yl)cyclohexyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(1,3-benzodioxol-5-yl)cyclohexyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(1,3-benzodioxol-5-yl)cyclohexyl]piperazine-1-carboxylate CAS Name: 4-[4-(1,3-benzodioxol-5-yl)cyclohexyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(1,3-benzodioxol-5-yl)cyclohexyl]piperazine-1-carboxylate Traditional Name: 4-[4-(1,3-benzodioxol-5-yl)cyclohexyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2CCC(CC2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2CCC(CC2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H32N2O4/c1-22(2,3)28-21(25)24-12-10-23(11-13-24)18-7-4-16(5-8-18)17-6-9-19-20(14-17)27-15-26-19/h6,9,14,16,18H,4-5,7-8,10-13,15H2,1-3H3