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

Systemtic Name: 4-[(2S)-2-(4-tert-butylphenyl)-2-oxidanyl-ethyl]piperazine-1-carbaldehyde Openeye Name: 4-[(2S)-2-(4-tert-butylphenyl)-2-hydroxy-ethyl]piperazine-1-carbaldehyde CAS Name: 4-[(2S)-2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[(2S)-2-(4-tert-butylphenyl)-2-hydroxyethyl]piperazine-1-carbaldehyde Traditional Name: 4-[(2S)-2-(4-tert-butylphenyl)-2-hydroxy-ethyl]piperazine-1-carbaldehyde Formula: C17H26N2O2 MolecularWeight: 290.40054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@@H](CN2CCN(CC2)C=O)O

InChI

InChI=1S/C17H26N2O2/c1-17(2,3)15-6-4-14(5-7-15)16(21)12-18-8-10-19(13-20)11-9-18/h4-7,13,16,21H,8-12H2,1-3H3/t16-/m1/s1