[(4S,5R,6R,7S)-5,7-dimethyl-6-oxidanyl-non-1-en-4-yl] (E)-3-phenylprop-2-enoate

Systemtic Name: [(4S,5R,6R,7S)-5,7-dimethyl-6-oxidanyl-non-1-en-4-yl] (E)-3-phenylprop-2-enoate Openeye Name: [(1S,2R,3R,4S)-1-allyl-3-hydroxy-2,4-dimethyl-hexyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [(4S,5R,6R,7S)-6-hydroxy-5,7-dimethylnon-1-en-4-yl] ester IUPAC Name: [(4S,5R,6R,7S)-6-hydroxy-5,7-dimethylnon-1-en-4-yl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [(1S)-1-[(1R,2R,3S)-2-hydroxy-1,3-dimethyl-pentyl]but-3-enyl] ester Formula: C20H28O3 MolecularWeight: 316.43452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(C)C(CC=C)OC(=O)C=CC1=CC=CC=C1)O

Isomeric SMILES

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

InChI

InChI=1S/C20H28O3/c1-5-10-18(16(4)20(22)15(3)6-2)23-19(21)14-13-17-11-8-7-9-12-17/h5,7-9,11-16,18,20,22H,1,6,10H2,2-4H3/b14-13+/t15-,16-,18-,20+/m0/s1