[3-methyl-2-[3-(oxan-2-yloxy)prop-1-ynyl]phenyl]methyl 2,2-dimethylbutanoate

Systemtic Name: [3-methyl-2-[3-(oxan-2-yloxy)prop-1-ynyl]phenyl]methyl 2,2-dimethylbutanoate Openeye Name: [3-methyl-2-(3-tetrahydropyran-2-yloxyprop-1-ynyl)phenyl]methyl 2,2-dimethylbutanoate CAS Name: 2,2-dimethylbutanoic acid [3-methyl-2-[3-(2-oxanyloxy)prop-1-ynyl]phenyl]methyl ester IUPAC Name: [3-methyl-2-[3-(oxan-2-yloxy)prop-1-ynyl]phenyl]methyl 2,2-dimethylbutanoate Traditional Name: 2,2-dimethylbutyric acid [3-methyl-2-(3-tetrahydropyran-2-yloxyprop-1-ynyl)benzyl] ester Formula: C22H30O4 MolecularWeight: 358.4712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OCC1=CC=CC(=C1C#CCOC2CCCCO2)C

Isomeric SMILES

CCC(C)(C)C(=O)OCC1=CC=CC(=C1C#CCOC2CCCCO2)C

InChI

InChI=1S/C22H30O4/c1-5-22(3,4)21(23)26-16-18-11-8-10-17(2)19(18)12-9-15-25-20-13-6-7-14-24-20/h8,10-11,20H,5-7,13-16H2,1-4H3