[(3R,5S)-3-[(4-methoxyphenyl)methoxy]-5-oxidanyl-oct-7-ynyl] 2,2-dimethylpropanoate

Systemtic Name: [(3R,5S)-3-[(4-methoxyphenyl)methoxy]-5-oxidanyl-oct-7-ynyl] 2,2-dimethylpropanoate Openeye Name: [(3R,5S)-5-hydroxy-3-[(4-methoxyphenyl)methoxy]oct-7-ynyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(3R,5S)-5-hydroxy-3-[(4-methoxyphenyl)methoxy]oct-7-ynyl] ester IUPAC Name: [(3R,5S)-5-hydroxy-3-[(4-methoxyphenyl)methoxy]oct-7-ynyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(3R,5S)-5-hydroxy-3-p-anisyloxy-oct-7-ynyl] ester Formula: C21H30O5 MolecularWeight: 362.4599

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCCC(CC(CC#C)O)OCC1=CC=C(C=C1)OC

Isomeric SMILES

CC(C)(C)C(=O)OCC[C@H](C[C@H](CC#C)O)OCC1=CC=C(C=C1)OC

InChI

InChI=1S/C21H30O5/c1-6-7-17(22)14-19(12-13-25-20(23)21(2,3)4)26-15-16-8-10-18(24-5)11-9-16/h1,8-11,17,19,22H,7,12-15H2,2-5H3/t17-,19+/m0/s1