[4-(2-azanylethanoyl)-2-hexanoyloxy-phenyl] hexanoate hydrochloride

Systemtic Name: [4-(2-azanylethanoyl)-2-hexanoyloxy-phenyl] hexanoate hydrochloride Openeye Name: [4-(2-aminoacetyl)-2-hexanoyloxy-phenyl] hexanoate hydrochloride CAS Name: hexanoic acid [4-(2-amino-1-oxoethyl)-2-(1-oxohexoxy)phenyl] ester hydrochloride IUPAC Name: [4-(2-aminoacetyl)-2-hexanoyloxyphenyl] hexanoate hydrochloride Traditional Name: hexanoic acid (2-caproyloxy-4-glycyl-phenyl) ester hydrochloride Formula: C20H30ClNO5 MolecularWeight: 399.9089

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO5.ClH/c1-3-5-7-9-19(23)25-17-12-11-15(16(22)14-21)13-18(17)26-20(24)10-8-6-4-2;/h11-13H,3-10,14,21H2,1-2H3;1H