diethyl 2-[2-(3,3-dimethylbut-1-ynyl)phenyl]propanedioate

Systemtic Name: diethyl 2-[2-(3,3-dimethylbut-1-ynyl)phenyl]propanedioate Openeye Name: diethyl 2-[2-(3,3-dimethylbut-1-ynyl)phenyl]propanedioate CAS Name: 2-[2-(3,3-dimethylbut-1-ynyl)phenyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-(3,3-dimethylbut-1-ynyl)phenyl]propanedioate Traditional Name: 2-[2-(3,3-dimethylbut-1-ynyl)phenyl]malonic acid diethyl ester Formula: C19H24O4 MolecularWeight: 316.39146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1C#CC(C)(C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1C#CC(C)(C)C)C(=O)OCC

InChI

InChI=1S/C19H24O4/c1-6-22-17(20)16(18(21)23-7-2)15-11-9-8-10-14(15)12-13-19(3,4)5/h8-11,16H,6-7H2,1-5H3