[(4E)-4-methylocta-4,7-dien-1-yn-3-yl] 2-(4-chlorophenyl)-3-methyl-butanoate

Systemtic Name: [(4E)-4-methylocta-4,7-dien-1-yn-3-yl] 2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: [(2E)-1-ethynyl-2-methyl-hexa-2,5-dienyl] 2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: 2-(4-chlorophenyl)-3-methylbutanoic acid [(4E)-4-methylocta-4,7-dien-1-yn-3-yl] ester IUPAC Name: [(4E)-4-methylocta-4,7-dien-1-yn-3-yl] 2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: 2-(4-chlorophenyl)-3-methyl-butyric acid [(2E)-1-ethynyl-2-methyl-hexa-2,5-dienyl] ester Formula: C20H23ClO2 MolecularWeight: 330.84842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#C)/C(=C/CC=C)/C

InChI

InChI=1S/C20H23ClO2/c1-6-8-9-15(5)18(7-2)23-20(22)19(14(3)4)16-10-12-17(21)13-11-16/h2,6,9-14,18-19H,1,8H2,3-5H3/b15-9+