[4-[(6S,7R,8aR)-7-oxidanyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]phenyl] ethanoate

Systemtic Name: [4-[(6S,7R,8aR)-7-oxidanyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]phenyl] ethanoate Openeye Name: [4-[(6S,7R,8aR)-7-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]phenyl] acetate CAS Name: acetic acid [4-[(6S,7R,8aR)-7-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]phenyl] ester IUPAC Name: [4-[(6S,7R,8aR)-7-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]phenyl] acetate Traditional Name: acetic acid [4-[(6S,7R,8aR)-7-hydroxyindolizidin-6-yl]phenyl] ester Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2CN3CCCC3CC2O

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)[C@H]2CN3CCC[C@@H]3C[C@H]2O

InChI

InChI=1S/C16H21NO3/c1-11(18)20-14-6-4-12(5-7-14)15-10-17-8-2-3-13(17)9-16(15)19/h4-7,13,15-16,19H,2-3,8-10H2,1H3/t13-,15-,16-/m1/s1