2,7-dimethyloct-7-en-5-yn-4-yl 3-phenylpropanoate

Systemtic Name: 2,7-dimethyloct-7-en-5-yn-4-yl 3-phenylpropanoate Openeye Name: (1-isobutyl-4-methyl-pent-4-en-2-ynyl) 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid 2,7-dimethyloct-7-en-5-yn-4-yl ester IUPAC Name: 2,7-dimethyloct-7-en-5-yn-4-yl 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid (1-isobutyl-4-methyl-pent-4-en-2-ynyl) ester Formula: C19H24O2 MolecularWeight: 284.39266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24O2/c1-15(2)10-12-18(14-16(3)4)21-19(20)13-11-17-8-6-5-7-9-17/h5-9,16,18H,1,11,13-14H2,2-4H3