tert-butyl 5-(1-bromanyl-2-oxidanylidene-2-phenylmethoxy-ethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 5-(1-bromanyl-2-oxidanylidene-2-phenylmethoxy-ethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 5-(2-benzyloxy-1-bromo-2-oxo-ethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate CAS Name: 5-(1-bromo-2-oxo-2-phenylmethoxyethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(1-bromo-2-oxo-2-phenylmethoxyethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate Traditional Name: 5-(2-benzoxy-1-bromo-2-keto-ethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C21H26BrNO4 MolecularWeight: 436.33944

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C)C(=O)OC(C)(C)C)C(C(=O)OCC2=CC=CC=C2)Br

Isomeric SMILES

CCC1=C(NC(=C1C)C(=O)OC(C)(C)C)C(C(=O)OCC2=CC=CC=C2)Br

InChI

InChI=1S/C21H26BrNO4/c1-6-15-13(2)17(20(25)27-21(3,4)5)23-18(15)16(22)19(24)26-12-14-10-8-7-9-11-14/h7-11,16,23H,6,12H2,1-5H3