2,6-dimethylnon-1-en-3-yn-5-yl 3-phenylpropanoate

Systemtic Name: 2,6-dimethylnon-1-en-3-yn-5-yl 3-phenylpropanoate Openeye Name: [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid 2,6-dimethylnon-1-en-3-yn-5-yl ester IUPAC Name: 2,6-dimethylnon-1-en-3-yn-5-yl 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] ester Formula: C20H26O2 MolecularWeight: 298.41924

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(C#CC(=C)C)OC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CCCC(C)C(C#CC(=C)C)OC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C20H26O2/c1-5-9-17(4)19(14-12-16(2)3)22-20(21)15-13-18-10-7-6-8-11-18/h6-8,10-11,17,19H,2,5,9,13,15H2,1,3-4H3