tert-butyl 4-[(4,5-dimethyl-2-oxidanyl-phenyl)methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4,5-dimethyl-2-oxidanyl-phenyl)methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(2-hydroxy-4,5-dimethyl-phenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(2-hydroxy-4,5-dimethylphenyl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-hydroxy-4,5-dimethylphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-(2-hydroxy-4,5-dimethyl-benzyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H28N2O3 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)O)CN2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1C)O)CN2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H28N2O3/c1-13-10-15(16(21)11-14(13)2)12-19-6-8-20(9-7-19)17(22)23-18(3,4)5/h10-11,21H,6-9,12H2,1-5H3