[2,3,6-trimethyl-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl] octanoate

Systemtic Name: [2,3,6-trimethyl-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl] octanoate Openeye Name: [4-[2-hydroxy-3-(isopropylamino)propoxy]-2,3,6-trimethyl-phenyl] octanoate CAS Name: octanoic acid [4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenyl] ester IUPAC Name: [4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenyl] octanoate Traditional Name: caprylic acid [4-[2-hydroxy-3-(isopropylamino)propoxy]-2,3,6-trimethyl-phenyl] ester Formula: C23H39NO4 MolecularWeight: 393.56006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(C(=C(C=C1C)OCC(CNC(C)C)O)C)C

Isomeric SMILES

CCCCCCCC(=O)OC1=C(C(=C(C=C1C)OCC(CNC(C)C)O)C)C

InChI

InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-22(26)28-23-17(4)13-21(18(5)19(23)6)27-15-20(25)14-24-16(2)3/h13,16,20,24-25H,7-12,14-15H2,1-6H3