(2-methyl-4-phenyl-but-3-yn-2-yl) propanoate

Systemtic Name: (2-methyl-4-phenyl-but-3-yn-2-yl) propanoate Openeye Name: (1,1-dimethyl-3-phenyl-prop-2-ynyl) propanoate CAS Name: propanoic acid (2-methyl-4-phenylbut-3-yn-2-yl) ester IUPAC Name: (2-methyl-4-phenylbut-3-yn-2-yl) propanoate Traditional Name: propionic acid (1,1-dimethyl-3-phenyl-prop-2-ynyl) ester Formula: C14H16O2 MolecularWeight: 216.27564

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(C)(C)C#CC1=CC=CC=C1

Isomeric SMILES

CCC(=O)OC(C)(C)C#CC1=CC=CC=C1

InChI

InChI=1S/C14H16O2/c1-4-13(15)16-14(2,3)11-10-12-8-6-5-7-9-12/h5-9H,4H2,1-3H3