4-[(2S)-2-(4-tert-butylphenyl)-2-oxidanyl-propyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[(2S)-2-(4-tert-butylphenyl)-2-oxidanyl-propyl]piperazine-1-carbaldehyde Openeye Name: 4-[(2S)-2-(4-tert-butylphenyl)-2-hydroxy-propyl]piperazine-1-carbaldehyde CAS Name: 4-[(2S)-2-(4-tert-butylphenyl)-2-hydroxypropyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[(2S)-2-(4-tert-butylphenyl)-2-hydroxypropyl]piperazine-1-carbaldehyde Traditional Name: 4-[(2S)-2-(4-tert-butylphenyl)-2-hydroxy-propyl]piperazine-1-carbaldehyde Formula: C18H28N2O2 MolecularWeight: 304.42712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C)(CN2CCN(CC2)C=O)O

Isomeric SMILES

C[C@@](CN1CCN(CC1)C=O)(C2=CC=C(C=C2)C(C)(C)C)O

InChI

InChI=1S/C18H28N2O2/c1-17(2,3)15-5-7-16(8-6-15)18(4,22)13-19-9-11-20(14-21)12-10-19/h5-8,14,22H,9-13H2,1-4H3/t18-/m1/s1