methyl (2R,3S,4S)-3-acetyloxy-4-phenylmethoxy-2-prop-2-enyl-octanoate

Systemtic Name: methyl (2R,3S,4S)-3-acetyloxy-4-phenylmethoxy-2-prop-2-enyl-octanoate Openeye Name: methyl (2R,3S,4S)-3-acetoxy-2-allyl-4-benzyloxy-octanoate CAS Name: (2R,3S,4S)-3-acetyloxy-4-phenylmethoxy-2-prop-2-enyloctanoic acid methyl ester IUPAC Name: methyl (2R,3S,4S)-3-acetyloxy-4-phenylmethoxy-2-prop-2-enyloctanoate Traditional Name: (2R)-2-[(1S,2S)-1-acetoxy-2-benzoxy-hexyl]pent-4-enoic acid methyl ester Formula: C21H30O5 MolecularWeight: 362.4599

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30O5/c1-5-7-14-19(25-15-17-12-9-8-10-13-17)20(26-16(3)22)18(11-6-2)21(23)24-4/h6,8-10,12-13,18-20H,2,5,7,11,14-15H2,1,3-4H3/t18-,19+,20+/m1/s1