5,5-dimethyl-2-[[[3-(3-methylbutoxy)phenyl]amino]methylidene]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[[[3-(3-methylbutoxy)phenyl]amino]methylidene]cyclohexane-1,3-dione Openeye Name: 2-[(3-isopentyloxyanilino)methylene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[[3-(3-methylbutoxy)anilino]methylidene]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[[3-(3-methylbutoxy)anilino]methylidene]cyclohexane-1,3-dione Traditional Name: 2-[(3-isoamoxyanilino)methylene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C20H27NO3 MolecularWeight: 329.43328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)NC=C2C(=O)CC(CC2=O)(C)C

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)NC=C2C(=O)CC(CC2=O)(C)C

InChI

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