[(5R,7R,9R)-3-methylidene-7-oxidanyl-9-phenylmethoxy-decan-5-yl] propanoate

Systemtic Name: [(5R,7R,9R)-3-methylidene-7-oxidanyl-9-phenylmethoxy-decan-5-yl] propanoate Openeye Name: [(1R,3R,5R)-5-benzyloxy-3-hydroxy-1-(2-methylenebutyl)hexyl] propanoate CAS Name: propanoic acid [(5R,7R,9R)-7-hydroxy-3-methylene-9-phenylmethoxydecan-5-yl] ester IUPAC Name: [(5R,7R,9R)-7-hydroxy-3-methylidene-9-phenylmethoxydecan-5-yl] propanoate Traditional Name: propionic acid [(1R)-1-[(2R,4R)-4-benzoxy-2-hydroxy-pentyl]-3-ethyl-but-3-enyl] ester Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32O4/c1-5-16(3)12-20(25-21(23)6-2)14-19(22)13-17(4)24-15-18-10-8-7-9-11-18/h7-11,17,19-20,22H,3,5-6,12-15H2,1-2,4H3/t17-,19-,20-/m1/s1