(phenylmethyl) 4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: benzyl 4-(3,5-ditert-butyl-4-hydroxy-benzoyl)piperazine-1-carboxylate CAS Name: 4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3,5-ditert-butyl-4-hydroxybenzoyl)piperazine-1-carboxylate Traditional Name: 4-(3,5-ditert-butyl-4-hydroxy-benzoyl)piperazine-1-carboxylic acid benzyl ester Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)N2CCN(CC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)N2CCN(CC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H36N2O4/c1-26(2,3)21-16-20(17-22(23(21)30)27(4,5)6)24(31)28-12-14-29(15-13-28)25(32)33-18-19-10-8-7-9-11-19/h7-11,16-17,30H,12-15,18H2,1-6H3