(4-acetyloxy-5-cyano-2,3-dimethoxy-naphthalen-1-yl) 3,3-dimethylpentanoate

Systemtic Name: (4-acetyloxy-5-cyano-2,3-dimethoxy-naphthalen-1-yl) 3,3-dimethylpentanoate Openeye Name: (4-acetoxy-5-cyano-2,3-dimethoxy-1-naphthyl) 3,3-dimethylpentanoate CAS Name: 3,3-dimethylpentanoic acid (4-acetyloxy-5-cyano-2,3-dimethoxy-1-naphthalenyl) ester IUPAC Name: (4-acetyloxy-5-cyano-2,3-dimethoxynaphthalen-1-yl) 3,3-dimethylpentanoate Traditional Name: 3,3-dimethylvaleric acid (4-acetoxy-5-cyano-2,3-dimethoxy-1-naphthyl) ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)CC(=O)OC1=C(C(=C(C2=C(C=CC=C21)C#N)OC(=O)C)OC)OC

Isomeric SMILES

CCC(C)(C)CC(=O)OC1=C(C(=C(C2=C(C=CC=C21)C#N)OC(=O)C)OC)OC

InChI

InChI=1S/C22H25NO6/c1-7-22(3,4)11-16(25)29-18-15-10-8-9-14(12-23)17(15)19(28-13(2)24)21(27-6)20(18)26-5/h8-10H,7,11H2,1-6H3