[4-[1-oxidanyl-2-(propan-2-ylamino)ethyl]-2-(phenylcarbonyloxy)phenyl] benzoate hydrobromide

Systemtic Name: [4-[1-oxidanyl-2-(propan-2-ylamino)ethyl]-2-(phenylcarbonyloxy)phenyl] benzoate hydrobromide Openeye Name: [2-benzoyloxy-4-[1-hydroxy-2-(isopropylamino)ethyl]phenyl] benzoate hydrobromide CAS Name: benzoic acid [2-benzoyloxy-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl] ester hydrobromide IUPAC Name: [2-benzoyloxy-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl] benzoate hydrobromide Traditional Name: benzoic acid [2-benzoyloxy-4-[1-hydroxy-2-(isopropylamino)ethyl]phenyl] ester hydrobromide Formula: C25H26BrNO5 MolecularWeight: 500.38164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(C1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O.Br

Isomeric SMILES

CC(C)NCC(C1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O.Br

InChI

InChI=1S/C25H25NO5.BrH/c1-17(2)26-16-21(27)20-13-14-22(30-24(28)18-9-5-3-6-10-18)23(15-20)31-25(29)19-11-7-4-8-12-19;/h3-15,17,21,26-27H,16H2,1-2H3;1H