N-(1-adamantyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-5-oxidanyl-benzamide

Systemtic Name: N-(1-adamantyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-5-oxidanyl-benzamide Openeye Name: N-(1-adamantyl)-2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-5-hydroxy-benzamide CAS Name: N-(1-adamantyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-5-hydroxybenzamide IUPAC Name: N-(1-adamantyl)-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-5-hydroxybenzamide Traditional Name: N-(1-adamantyl)-2-(2,4-ditert-amylphenoxy)-5-hydroxy-benzamide Formula: C33H45NO3 MolecularWeight: 503.7153

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)O)C(=O)NC34CC5CC(C3)CC(C5)C4)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)O)C(=O)NC34CC5CC(C3)CC(C5)C4)C(C)(C)CC

InChI

InChI=1S/C33H45NO3/c1-7-31(3,4)24-9-11-29(27(16-24)32(5,6)8-2)37-28-12-10-25(35)17-26(28)30(36)34-33-18-21-13-22(19-33)15-23(14-21)20-33/h9-12,16-17,21-23,35H,7-8,13-15,18-20H2,1-6H3,(H,34,36)