2-(4-phenoxyphenyl)but-3-yn-2-yl 2,2-dimethylpropanoate

Systemtic Name: 2-(4-phenoxyphenyl)but-3-yn-2-yl 2,2-dimethylpropanoate Openeye Name: [1-methyl-1-(4-phenoxyphenyl)prop-2-ynyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 2-(4-phenoxyphenyl)but-3-yn-2-yl ester IUPAC Name: 2-(4-phenoxyphenyl)but-3-yn-2-yl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [1-methyl-1-(4-phenoxyphenyl)prop-2-ynyl] ester Formula: C21H22O3 MolecularWeight: 322.39758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC(C)(C#C)C1=CC=C(C=C1)OC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)OC(C)(C#C)C1=CC=C(C=C1)OC2=CC=CC=C2

InChI

InChI=1S/C21H22O3/c1-6-21(5,24-19(22)20(2,3)4)16-12-14-18(15-13-16)23-17-10-8-7-9-11-17/h1,7-15H,2-5H3