[(E)-hept-5-en-2-ynyl] 2-(4-ethoxyphenyl)-3-methyl-butanoate

Systemtic Name: [(E)-hept-5-en-2-ynyl] 2-(4-ethoxyphenyl)-3-methyl-butanoate Openeye Name: [(E)-hept-5-en-2-ynyl] 2-(4-ethoxyphenyl)-3-methyl-butanoate CAS Name: 2-(4-ethoxyphenyl)-3-methylbutanoic acid [(E)-hept-5-en-2-ynyl] ester IUPAC Name: [(E)-hept-5-en-2-ynyl] 2-(4-ethoxyphenyl)-3-methylbutanoate Traditional Name: 3-methyl-2-p-phenetyl-butyric acid [(E)-hept-5-en-2-ynyl] ester Formula: C20H26O3 MolecularWeight: 314.41864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C(C)C)C(=O)OCC#CCC=CC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C(C)C)C(=O)OCC#CC/C=C/C

InChI

InChI=1S/C20H26O3/c1-5-7-8-9-10-15-23-20(21)19(16(3)4)17-11-13-18(14-12-17)22-6-2/h5,7,11-14,16,19H,6,8,15H2,1-4H3/b7-5+