[2-hexanoyloxy-4-[2-(propan-2-ylamino)ethanoyl]phenyl] hexanoate hydrochloride

Systemtic Name: [2-hexanoyloxy-4-[2-(propan-2-ylamino)ethanoyl]phenyl] hexanoate hydrochloride Openeye Name: [2-hexanoyloxy-4-[2-(isopropylamino)acetyl]phenyl] hexanoate hydrochloride CAS Name: hexanoic acid [2-(1-oxohexoxy)-4-[1-oxo-2-(propan-2-ylamino)ethyl]phenyl] ester hydrochloride IUPAC Name: [2-hexanoyloxy-4-[2-(propan-2-ylamino)acetyl]phenyl] hexanoate hydrochloride Traditional Name: hexanoic acid [2-caproyloxy-4-[2-(isopropylamino)acetyl]phenyl] ester hydrochloride Formula: C23H36ClNO5 MolecularWeight: 441.98864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=C(C=C(C=C1)C(=O)CNC(C)C)OC(=O)CCCCC.Cl

Isomeric SMILES

CCCCCC(=O)OC1=C(C=C(C=C1)C(=O)CNC(C)C)OC(=O)CCCCC.Cl

InChI

InChI=1S/C23H35NO5.ClH/c1-5-7-9-11-22(26)28-20-14-13-18(19(25)16-24-17(3)4)15-21(20)29-23(27)12-10-8-6-2;/h13-15,17,24H,5-12,16H2,1-4H3;1H