2-methylpropyl (E)-2-[2-(2,5-dimethoxyphenyl)ethynyl]-2-methyl-6-oxidanyl-hex-4-enoate

Systemtic Name: 2-methylpropyl (E)-2-[2-(2,5-dimethoxyphenyl)ethynyl]-2-methyl-6-oxidanyl-hex-4-enoate Openeye Name: isobutyl (E)-2-[2-(2,5-dimethoxyphenyl)ethynyl]-6-hydroxy-2-methyl-hex-4-enoate CAS Name: (E)-2-[2-(2,5-dimethoxyphenyl)ethynyl]-6-hydroxy-2-methyl-4-hexenoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (E)-2-[2-(2,5-dimethoxyphenyl)ethynyl]-6-hydroxy-2-methylhex-4-enoate Traditional Name: (E)-2-[2-(2,5-dimethoxyphenyl)ethynyl]-6-hydroxy-2-methyl-hex-4-enoic acid isobutyl ester Formula: C21H28O5 MolecularWeight: 360.44402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C(C)(CC=CCO)C#CC1=C(C=CC(=C1)OC)OC

Isomeric SMILES

CC(C)COC(=O)C(C)(C/C=C/CO)C#CC1=C(C=CC(=C1)OC)OC

InChI

InChI=1S/C21H28O5/c1-16(2)15-26-20(23)21(3,11-6-7-13-22)12-10-17-14-18(24-4)8-9-19(17)25-5/h6-9,14,16,22H,11,13,15H2,1-5H3/b7-6+