3-[3-[[4-(3,3-dimethylbutanoyl)-2-methyl-3-oxidanyl-phenoxy]methyl]phenyl]benzamide

Systemtic Name: 3-[3-[[4-(3,3-dimethylbutanoyl)-2-methyl-3-oxidanyl-phenoxy]methyl]phenyl]benzamide Openeye Name: 3-[3-[[4-(3,3-dimethylbutanoyl)-3-hydroxy-2-methyl-phenoxy]methyl]phenyl]benzamide CAS Name: 3-[3-[[4-(3,3-dimethyl-1-oxobutyl)-3-hydroxy-2-methylphenoxy]methyl]phenyl]benzamide IUPAC Name: 3-[3-[[4-(3,3-dimethylbutanoyl)-3-hydroxy-2-methylphenoxy]methyl]phenyl]benzamide Traditional Name: 3-[3-[[4-(3,3-dimethylbutanoyl)-3-hydroxy-2-methyl-phenoxy]methyl]phenyl]benzamide Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C(=O)CC(C)(C)C)OCC2=CC=CC(=C2)C3=CC(=CC=C3)C(=O)N

Isomeric SMILES

CC1=C(C=CC(=C1O)C(=O)CC(C)(C)C)OCC2=CC=CC(=C2)C3=CC(=CC=C3)C(=O)N

InChI

InChI=1S/C27H29NO4/c1-17-24(12-11-22(25(17)30)23(29)15-27(2,3)4)32-16-18-7-5-8-19(13-18)20-9-6-10-21(14-20)26(28)31/h5-14,30H,15-16H2,1-4H3,(H2,28,31)