O2-tert-butyl O1,O1-diethyl (2R)-2-(5-bromanyl-1H-indol-3-yl)ethane-1,1,2-tricarboxylate

Systemtic Name: O2-tert-butyl O1,O1-diethyl (2R)-2-(5-bromanyl-1H-indol-3-yl)ethane-1,1,2-tricarboxylate Openeye Name: O2-tert-butyl O1,O1-diethyl (2R)-2-(5-bromo-1H-indol-3-yl)ethane-1,1,2-tricarboxylate CAS Name: (2R)-2-(5-bromo-1H-indol-3-yl)ethane-1,1,2-tricarboxylic acid O2-tert-butyl ester O1,O1-diethyl ester IUPAC Name: 2-O-tert-butyl 1-O,1-O-diethyl (2R)-2-(5-bromo-1H-indol-3-yl)ethane-1,1,2-tricarboxylate Traditional Name: (2R)-2-(5-bromo-1H-indol-3-yl)ethane-1,1,2-tricarboxylic acid O2-tert-butyl ester O1,O1-diethyl ester Formula: C21H26BrNO6 MolecularWeight: 468.33824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CNC2=C1C=C(C=C2)Br)C(=O)OC(C)(C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C([C@H](C1=CNC2=C1C=C(C=C2)Br)C(=O)OC(C)(C)C)C(=O)OCC

InChI

InChI=1S/C21H26BrNO6/c1-6-27-18(24)17(19(25)28-7-2)16(20(26)29-21(3,4)5)14-11-23-15-9-8-12(22)10-13(14)15/h8-11,16-17,23H,6-7H2,1-5H3/t16-/m0/s1