methyl (3R,4S,5R)-5-cyclohexyl-3-methyl-2-methylidene-4-oxidanyl-5-phenylmethoxy-pentanoate

Systemtic Name: methyl (3R,4S,5R)-5-cyclohexyl-3-methyl-2-methylidene-4-oxidanyl-5-phenylmethoxy-pentanoate Openeye Name: methyl (3R,4S,5R)-5-benzyloxy-5-cyclohexyl-4-hydroxy-3-methyl-2-methylene-pentanoate CAS Name: (3R,4S,5R)-5-cyclohexyl-4-hydroxy-3-methyl-2-methylene-5-phenylmethoxypentanoic acid methyl ester IUPAC Name: methyl (3R,4S,5R)-5-cyclohexyl-4-hydroxy-3-methyl-2-methylidene-5-phenylmethoxypentanoate Traditional Name: 2-[(1R,2S,3R)-3-benzoxy-3-cyclohexyl-2-hydroxy-1-methyl-propyl]acrylic acid methyl ester Formula: C21H30O4 MolecularWeight: 346.4605

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C1CCCCC1)OCC2=CC=CC=C2)O)C(=C)C(=O)OC

Isomeric SMILES

C[C@@H]([C@@H]([C@@H](C1CCCCC1)OCC2=CC=CC=C2)O)C(=C)C(=O)OC

InChI

InChI=1S/C21H30O4/c1-15(16(2)21(23)24-3)19(22)20(18-12-8-5-9-13-18)25-14-17-10-6-4-7-11-17/h4,6-7,10-11,15,18-20,22H,2,5,8-9,12-14H2,1,3H3/t15-,19+,20-/m1/s1