tert-butyl 1-[(2-bromanylethanoylamino)methyl]-6-(2-methoxyethoxymethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 1-[(2-bromanylethanoylamino)methyl]-6-(2-methoxyethoxymethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-[[(2-bromoacetyl)amino]methyl]-6-(2-methoxyethoxymethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[[(2-bromo-1-oxoethyl)amino]methyl]-6-(2-methoxyethoxymethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[[(2-bromoacetyl)amino]methyl]-6-(2-methoxyethoxymethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-[[(2-bromoacetyl)amino]methyl]-6-(2-methoxyethoxymethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C21H31BrN2O6 MolecularWeight: 487.38464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1CNC(=O)CBr)C=CC(=C2)OCOCCOC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1CNC(=O)CBr)C=CC(=C2)OCOCCOC

InChI

InChI=1S/C21H31BrN2O6/c1-21(2,3)30-20(26)24-8-7-15-11-16(29-14-28-10-9-27-4)5-6-17(15)18(24)13-23-19(25)12-22/h5-6,11,18H,7-10,12-14H2,1-4H3,(H,23,25)