[3-[2-(tert-butylamino)-1-oxidanyl-ethyl]-5-propanoyloxy-phenyl] propanoate hydrobromide

Systemtic Name: [3-[2-(tert-butylamino)-1-oxidanyl-ethyl]-5-propanoyloxy-phenyl] propanoate hydrobromide Openeye Name: [3-[2-(tert-butylamino)-1-hydroxy-ethyl]-5-propanoyloxy-phenyl] propanoate hydrobromide CAS Name: propanoic acid [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(1-oxopropoxy)phenyl] ester hydrobromide IUPAC Name: [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-propanoyloxyphenyl] propanoate hydrobromide Traditional Name: propionic acid [3-[2-(tert-butylamino)-1-hydroxy-ethyl]-5-propionyloxy-phenyl] ester hydrobromide Formula: C18H28BrNO5 MolecularWeight: 418.32262

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC(=CC(=C1)C(CNC(C)(C)C)O)OC(=O)CC.Br

Isomeric SMILES

CCC(=O)OC1=CC(=CC(=C1)C(CNC(C)(C)C)O)OC(=O)CC.Br

InChI

InChI=1S/C18H27NO5.BrH/c1-6-16(21)23-13-8-12(15(20)11-19-18(3,4)5)9-14(10-13)24-17(22)7-2;/h8-10,15,19-20H,6-7,11H2,1-5H3;1H