methyl (E,4R,5R)-7-(2,2-dimethylpropanoyloxy)-5-phenyl-4-(phenylmethoxymethoxy)hept-2-enoate

Systemtic Name: methyl (E,4R,5R)-7-(2,2-dimethylpropanoyloxy)-5-phenyl-4-(phenylmethoxymethoxy)hept-2-enoate Openeye Name: methyl (E,4R,5R)-4-(benzyloxymethoxy)-7-(2,2-dimethylpropanoyloxy)-5-phenyl-hept-2-enoate CAS Name: (E,4R,5R)-7-(2,2-dimethyl-1-oxopropoxy)-5-phenyl-4-(phenylmethoxymethoxy)-2-heptenoic acid methyl ester IUPAC Name: methyl (E,4R,5R)-7-(2,2-dimethylpropanoyloxy)-5-phenyl-4-(phenylmethoxymethoxy)hept-2-enoate Traditional Name: (E,4R,5R)-4-(benzoxymethoxy)-5-phenyl-7-pivaloyloxy-hept-2-enoic acid methyl ester Formula: C27H34O6 MolecularWeight: 454.55526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCCC(C1=CC=CC=C1)C(C=CC(=O)OC)OCOCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)OCC[C@H](C1=CC=CC=C1)[C@@H](/C=C/C(=O)OC)OCOCC2=CC=CC=C2

InChI

InChI=1S/C27H34O6/c1-27(2,3)26(29)32-18-17-23(22-13-9-6-10-14-22)24(15-16-25(28)30-4)33-20-31-19-21-11-7-5-8-12-21/h5-16,23-24H,17-20H2,1-4H3/b16-15+/t23-,24-/m1/s1