5-tert-butyl-6-(2,2-dimethylpropanoyl)-6-oxidanyl-1-(phenylmethyl)pyridine-3-carbaldehyde

Systemtic Name: 5-tert-butyl-6-(2,2-dimethylpropanoyl)-6-oxidanyl-1-(phenylmethyl)pyridine-3-carbaldehyde Openeye Name: 1-benzyl-5-tert-butyl-6-(2,2-dimethylpropanoyl)-6-hydroxy-pyridine-3-carbaldehyde CAS Name: 5-tert-butyl-6-(2,2-dimethyl-1-oxopropyl)-6-hydroxy-1-(phenylmethyl)-3-pyridinecarboxaldehyde IUPAC Name: 1-benzyl-5-tert-butyl-6-(2,2-dimethylpropanoyl)-6-hydroxypyridine-3-carbaldehyde Traditional Name: 1-benzyl-5-tert-butyl-6-hydroxy-6-pivaloyl-nicotinaldehyde Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CN(C1(C(=O)C(C)(C)C)O)CC2=CC=CC=C2)C=O

Isomeric SMILES

CC(C)(C)C1=CC(=CN(C1(C(=O)C(C)(C)C)O)CC2=CC=CC=C2)C=O

InChI

InChI=1S/C22H29NO3/c1-20(2,3)18-12-17(15-24)14-23(13-16-10-8-7-9-11-16)22(18,26)19(25)21(4,5)6/h7-12,14-15,26H,13H2,1-6H3