ethyl (3R)-2,2-dimethyl-3-[(1R,2S)-2-oxidanylcyclopentyl]oxy-5-phenyl-pent-4-ynoate

Systemtic Name: ethyl (3R)-2,2-dimethyl-3-[(1R,2S)-2-oxidanylcyclopentyl]oxy-5-phenyl-pent-4-ynoate Openeye Name: ethyl (3R)-3-[(1R,2S)-2-hydroxycyclopentoxy]-2,2-dimethyl-5-phenyl-pent-4-ynoate CAS Name: (3R)-3-[(1R,2S)-2-hydroxycyclopentyl]oxy-2,2-dimethyl-5-phenyl-4-pentynoic acid ethyl ester IUPAC Name: ethyl (3R)-3-[(1R,2S)-2-hydroxycyclopentyl]oxy-2,2-dimethyl-5-phenylpent-4-ynoate Traditional Name: (3R)-3-[(1R,2S)-2-hydroxycyclopentoxy]-2,2-dimethyl-5-phenyl-pent-4-ynoic acid ethyl ester Formula: C20H26O4 MolecularWeight: 330.41804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)C(C#CC1=CC=CC=C1)OC2CCCC2O

Isomeric SMILES

CCOC(=O)C(C)(C)[C@@H](C#CC1=CC=CC=C1)O[C@@H]2CCC[C@@H]2O

InChI

InChI=1S/C20H26O4/c1-4-23-19(22)20(2,3)18(24-17-12-8-11-16(17)21)14-13-15-9-6-5-7-10-15/h5-7,9-10,16-18,21H,4,8,11-12H2,1-3H3/t16-,17+,18+/m0/s1