pent-3-ynyl (E)-2-(cyanomethyl)-5-phenyl-pent-2-enoate

Systemtic Name: pent-3-ynyl (E)-2-(cyanomethyl)-5-phenyl-pent-2-enoate Openeye Name: pent-3-ynyl (E)-2-(cyanomethyl)-5-phenyl-pent-2-enoate CAS Name: (E)-2-(cyanomethyl)-5-phenyl-2-pentenoic acid pent-3-ynyl ester IUPAC Name: pent-3-ynyl (E)-2-(cyanomethyl)-5-phenylpent-2-enoate Traditional Name: (E)-2-(cyanomethyl)-5-phenyl-pent-2-enoic acid pent-3-ynyl ester Formula: C18H19NO2 MolecularWeight: 281.34896

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCCOC(=O)C(=CCCC1=CC=CC=C1)CC#N

Isomeric SMILES

CC#CCCOC(=O)/C(=C/CCC1=CC=CC=C1)/CC#N

InChI

InChI=1S/C18H19NO2/c1-2-3-7-15-21-18(20)17(13-14-19)12-8-11-16-9-5-4-6-10-16/h4-6,9-10,12H,7-8,11,13,15H2,1H3/b17-12+