ethyl 2,2-dimethyl-3-[(2R,3S)-3-phenylmethoxybutan-2-yl]oxy-dec-4-ynoate

Systemtic Name: ethyl 2,2-dimethyl-3-[(2R,3S)-3-phenylmethoxybutan-2-yl]oxy-dec-4-ynoate Openeye Name: ethyl 3-[(1R,2S)-2-benzyloxy-1-methyl-propoxy]-2,2-dimethyl-dec-4-ynoate CAS Name: 2,2-dimethyl-3-[(2R,3S)-3-phenylmethoxybutan-2-yl]oxy-4-decynoic acid ethyl ester IUPAC Name: ethyl 2,2-dimethyl-3-[(2R,3S)-3-phenylmethoxybutan-2-yl]oxydec-4-ynoate Traditional Name: 3-[(1R,2S)-2-benzoxy-1-methyl-propoxy]-2,2-dimethyl-dec-4-ynoic acid ethyl ester Formula: C25H38O4 MolecularWeight: 402.56682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC(C(C)(C)C(=O)OCC)OC(C)C(C)OCC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C25H38O4/c1-7-9-10-11-15-18-23(25(5,6)24(26)27-8-2)29-21(4)20(3)28-19-22-16-13-12-14-17-22/h12-14,16-17,20-21,23H,7-11,19H2,1-6H3/t20-,21+,23?/m0/s1