2-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]-4-oxidanyl-piperidine-1-carbaldehyde

Systemtic Name: 2-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]-4-oxidanyl-piperidine-1-carbaldehyde Openeye Name: 2-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-4-hydroxy-piperidine-1-carbaldehyde CAS Name: 4-hydroxy-2-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-1-piperidinecarboxaldehyde IUPAC Name: 4-hydroxy-2-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]piperidine-1-carbaldehyde Traditional Name: 2-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-4-hydroxy-piperidine-1-carbaldehyde Formula: C21H33NO3 MolecularWeight: 347.49162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CCN2C=O)O)O

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CCN2C=O)O)O

InChI

InChI=1S/C21H33NO3/c1-4-5-6-7-11-21(2,3)16-8-9-18(20(25)13-16)19-14-17(24)10-12-22(19)15-23/h8-9,13,15,17,19,24-25H,4-7,10-12,14H2,1-3H3