1-[5-azanyl-2-methoxy-3,6-bis(methoxymethoxy)phenyl]propan-2-yl 5-bromanyl-2,4-bis(oxidanyl)benzoate

Systemtic Name: 1-[5-azanyl-2-methoxy-3,6-bis(methoxymethoxy)phenyl]propan-2-yl 5-bromanyl-2,4-bis(oxidanyl)benzoate Openeye Name: [2-[5-amino-2-methoxy-3,6-bis(methoxymethoxy)phenyl]-1-methyl-ethyl] 5-bromo-2,4-dihydroxy-benzoate CAS Name: 5-bromo-2,4-dihydroxybenzoic acid 1-[5-amino-2-methoxy-3,6-bis(methoxymethoxy)phenyl]propan-2-yl ester IUPAC Name: 1-[5-amino-2-methoxy-3,6-bis(methoxymethoxy)phenyl]propan-2-yl 5-bromo-2,4-dihydroxybenzoate Traditional Name: 5-bromo-2,4-dihydroxy-benzoic acid [2-[5-amino-2-methoxy-3,6-bis(methoxymethoxy)phenyl]-1-methyl-ethyl] ester Formula: C21H26BrNO9 MolecularWeight: 516.33644

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(C(=CC(=C1OC)OCOC)N)OCOC)OC(=O)C2=CC(=C(C=C2O)O)Br

Isomeric SMILES

CC(CC1=C(C(=CC(=C1OC)OCOC)N)OCOC)OC(=O)C2=CC(=C(C=C2O)O)Br

InChI

InChI=1S/C21H26BrNO9/c1-11(32-21(26)12-6-14(22)17(25)8-16(12)24)5-13-19(31-10-28-3)15(23)7-18(20(13)29-4)30-9-27-2/h6-8,11,24-25H,5,9-10,23H2,1-4H3