methyl (E,5S,6S,7S)-4-ethyl-5-methyl-6-oxidanyl-7-phenylmethoxy-oct-3-enoate

Systemtic Name: methyl (E,5S,6S,7S)-4-ethyl-5-methyl-6-oxidanyl-7-phenylmethoxy-oct-3-enoate Openeye Name: methyl (E,5S,6S,7S)-7-benzyloxy-4-ethyl-6-hydroxy-5-methyl-oct-3-enoate CAS Name: (E,5S,6S,7S)-4-ethyl-6-hydroxy-5-methyl-7-phenylmethoxy-3-octenoic acid methyl ester IUPAC Name: methyl (E,5S,6S,7S)-4-ethyl-6-hydroxy-5-methyl-7-phenylmethoxyoct-3-enoate Traditional Name: (E,5S,6S,7S)-7-benzoxy-4-ethyl-6-hydroxy-5-methyl-oct-3-enoic acid methyl ester Formula: C19H28O4 MolecularWeight: 320.42322

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CCC(=O)OC)C(C)C(C(C)OCC1=CC=CC=C1)O

Isomeric SMILES

CC/C(=C\CC(=O)OC)/[C@H](C)[C@@H]([C@H](C)OCC1=CC=CC=C1)O

InChI

InChI=1S/C19H28O4/c1-5-17(11-12-18(20)22-4)14(2)19(21)15(3)23-13-16-9-7-6-8-10-16/h6-11,14-15,19,21H,5,12-13H2,1-4H3/b17-11+/t14-,15-,19-/m0/s1