2-methyloct-5-yn-4-yl 3-phenylprop-2-ynoate

Systemtic Name: 2-methyloct-5-yn-4-yl 3-phenylprop-2-ynoate Openeye Name: 1-isobutylpent-2-ynyl 3-phenylprop-2-ynoate CAS Name: 3-phenyl-2-propynoic acid 2-methyloct-5-yn-4-yl ester IUPAC Name: 2-methyloct-5-yn-4-yl 3-phenylprop-2-ynoate Traditional Name: 3-phenylpropiolic acid 1-isobutylpent-2-ynyl ester Formula: C18H20O2 MolecularWeight: 268.3502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O2/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,4,14H2,1-3H3