[(2R,4aR,6R,7R,8R,8aS)-7-(hexanoylamino)-2-phenyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] hexanoate

Systemtic Name: [(2R,4aR,6R,7R,8R,8aS)-7-(hexanoylamino)-2-phenyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] hexanoate Openeye Name: [(2R,4aR,6R,7R,8R,8aS)-6-allyloxy-7-(hexanoylamino)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] hexanoate CAS Name: hexanoic acid [(2R,4aR,6R,7R,8R,8aS)-7-(1-oxohexylamino)-2-phenyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] ester IUPAC Name: [(2R,4aR,6R,7R,8R,8aS)-7-(hexanoylamino)-2-phenyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] hexanoate Traditional Name: hexanoic acid [(2R,4aR,6R,7R,8R,8aS)-6-allyloxy-7-(caproylamino)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] ester Formula: C28H41NO7 MolecularWeight: 503.62764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1C(C2C(COC(O2)C3=CC=CC=C3)OC1OCC=C)OC(=O)CCCCC

Isomeric SMILES

CCCCCC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](CO[C@H](O2)C3=CC=CC=C3)O[C@H]1OCC=C)OC(=O)CCCCC

InChI

InChI=1S/C28H41NO7/c1-4-7-10-16-22(30)29-24-26(35-23(31)17-11-8-5-2)25-21(34-28(24)32-18-6-3)19-33-27(36-25)20-14-12-9-13-15-20/h6,9,12-15,21,24-28H,3-5,7-8,10-11,16-19H2,1-2H3,(H,29,30)/t21-,24-,25-,26-,27-,28-/m1/s1