ethyl (E)-3-[(3S,4S)-3-methyl-1-oxidanylidene-7-phenylmethoxy-heptan-4-yl]oxyprop-2-enoate

Systemtic Name: ethyl (E)-3-[(3S,4S)-3-methyl-1-oxidanylidene-7-phenylmethoxy-heptan-4-yl]oxyprop-2-enoate Openeye Name: ethyl (E)-3-[(1S,2S)-1-(3-benzyloxypropyl)-2-methyl-4-oxo-butoxy]prop-2-enoate CAS Name: (E)-3-[(3S,4S)-3-methyl-1-oxo-7-phenylmethoxyheptan-4-yl]oxy-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(3S,4S)-3-methyl-1-oxo-7-phenylmethoxyheptan-4-yl]oxyprop-2-enoate Traditional Name: (E)-3-[(1S,2S)-1-(3-benzoxypropyl)-4-keto-2-methyl-butoxy]acrylic acid ethyl ester Formula: C20H28O5 MolecularWeight: 348.43332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=COC(CCCOCC1=CC=CC=C1)C(C)CC=O

Isomeric SMILES

CCOC(=O)/C=C/O[C@@H](CCCOCC1=CC=CC=C1)[C@@H](C)CC=O

InChI

InChI=1S/C20H28O5/c1-3-24-20(22)12-15-25-19(17(2)11-13-21)10-7-14-23-16-18-8-5-4-6-9-18/h4-6,8-9,12-13,15,17,19H,3,7,10-11,14,16H2,1-2H3/b15-12+/t17-,19-/m0/s1