butyl 8-[(1S,5R)-2-oxidanylidene-5-[(E,3S)-3-oxidanyl-4-phenoxy-but-1-enyl]cyclopentyl]octanoate

Systemtic Name: butyl 8-[(1S,5R)-2-oxidanylidene-5-[(E,3S)-3-oxidanyl-4-phenoxy-but-1-enyl]cyclopentyl]octanoate Openeye Name: butyl 8-[(1S,2R)-2-[(E,3S)-3-hydroxy-4-phenoxy-but-1-enyl]-5-oxo-cyclopentyl]octanoate CAS Name: 8-[(1S,2R)-2-[(E,3S)-3-hydroxy-4-phenoxybut-1-enyl]-5-oxocyclopentyl]octanoic acid butyl ester IUPAC Name: butyl 8-[(1S,2R)-2-[(E,3S)-3-hydroxy-4-phenoxybut-1-enyl]-5-oxocyclopentyl]octanoate Traditional Name: 8-[(1S,2R)-2-[(E,3S)-3-hydroxy-4-phenoxy-but-1-enyl]-5-keto-cyclopentyl]caprylic acid butyl ester Formula: C27H40O5 MolecularWeight: 444.6035

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCCCCCCC1C(CCC1=O)C=CC(COC2=CC=CC=C2)O

Isomeric SMILES

CCCCOC(=O)CCCCCCC[C@H]1[C@H](CCC1=O)/C=C/[C@@H](COC2=CC=CC=C2)O

InChI

InChI=1S/C27H40O5/c1-2-3-20-31-27(30)15-11-6-4-5-10-14-25-22(17-19-26(25)29)16-18-23(28)21-32-24-12-8-7-9-13-24/h7-9,12-13,16,18,22-23,25,28H,2-6,10-11,14-15,17,19-21H2,1H3/b18-16+/t22-,23-,25-/m0/s1