2,7-dimethyloct-7-en-5-yn-4-yl 2-phenylethanoate

Systemtic Name: 2,7-dimethyloct-7-en-5-yn-4-yl 2-phenylethanoate Openeye Name: (1-isobutyl-4-methyl-pent-4-en-2-ynyl) 2-phenylacetate CAS Name: 2-phenylacetic acid 2,7-dimethyloct-7-en-5-yn-4-yl ester IUPAC Name: 2,7-dimethyloct-7-en-5-yn-4-yl 2-phenylacetate Traditional Name: 2-phenylacetic acid (1-isobutyl-4-methyl-pent-4-en-2-ynyl) ester Formula: C18H22O2 MolecularWeight: 270.36608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O2/c1-14(2)10-11-17(12-15(3)4)20-18(19)13-16-8-6-5-7-9-16/h5-9,15,17H,1,12-13H2,2-4H3