2-methyloct-5-yn-4-yl 3-phenylpropanoate

Systemtic Name: 2-methyloct-5-yn-4-yl 3-phenylpropanoate Openeye Name: 1-isobutylpent-2-ynyl 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid 2-methyloct-5-yn-4-yl ester IUPAC Name: 2-methyloct-5-yn-4-yl 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid 1-isobutylpent-2-ynyl ester Formula: C18H24O2 MolecularWeight: 272.38196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24O2/c1-4-5-11-17(14-15(2)3)20-18(19)13-12-16-9-7-6-8-10-16/h6-10,15,17H,4,12-14H2,1-3H3