2-[1-[[4-(hydroxymethyl)phenyl]amino]-3-methyl-butylidene]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[1-[[4-(hydroxymethyl)phenyl]amino]-3-methyl-butylidene]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[1-[4-(hydroxymethyl)anilino]-3-methyl-butylidene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[1-[4-(hydroxymethyl)anilino]-3-methylbutylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[1-[4-(hydroxymethyl)anilino]-3-methylbutylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[3-methyl-1-(4-methylolanilino)butylidene]cyclohexane-1,3-quinone Formula: C20H27NO3 MolecularWeight: 329.43328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=C1C(=O)CC(CC1=O)(C)C)NC2=CC=C(C=C2)CO

Isomeric SMILES

CC(C)CC(=C1C(=O)CC(CC1=O)(C)C)NC2=CC=C(C=C2)CO

InChI

InChI=1S/C20H27NO3/c1-13(2)9-16(21-15-7-5-14(12-22)6-8-15)19-17(23)10-20(3,4)11-18(19)24/h5-8,13,21-22H,9-12H2,1-4H3