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

Systemtic Name: ethyl (3S)-2,2-dimethyl-3-[(2R,3S)-3-oxidanylbutan-2-yl]oxy-5-phenyl-pent-4-ynoate Openeye Name: ethyl (3S)-3-[(1R,2S)-2-hydroxy-1-methyl-propoxy]-2,2-dimethyl-5-phenyl-pent-4-ynoate CAS Name: (3S)-3-[(2R,3S)-3-hydroxybutan-2-yl]oxy-2,2-dimethyl-5-phenyl-4-pentynoic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(2R,3S)-3-hydroxybutan-2-yl]oxy-2,2-dimethyl-5-phenylpent-4-ynoate Traditional Name: (3S)-3-[(1R,2S)-2-hydroxy-1-methyl-propoxy]-2,2-dimethyl-5-phenyl-pent-4-ynoic acid ethyl ester Formula: C19H26O4 MolecularWeight: 318.40734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26O4/c1-6-22-18(21)19(4,5)17(23-15(3)14(2)20)13-12-16-10-8-7-9-11-16/h7-11,14-15,17,20H,6H2,1-5H3/t14-,15+,17-/m0/s1