diethyl 2-[(1R)-1-(5-bromanyl-1H-indol-3-yl)-2-oxidanylidene-2-phenyl-ethyl]propanedioate

Systemtic Name: diethyl 2-[(1R)-1-(5-bromanyl-1H-indol-3-yl)-2-oxidanylidene-2-phenyl-ethyl]propanedioate Openeye Name: diethyl 2-[(1R)-1-(5-bromo-1H-indol-3-yl)-2-oxo-2-phenyl-ethyl]propanedioate CAS Name: 2-[(1R)-1-(5-bromo-1H-indol-3-yl)-2-oxo-2-phenylethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(1R)-1-(5-bromo-1H-indol-3-yl)-2-oxo-2-phenylethyl]propanedioate Traditional Name: 2-[(1R)-1-(5-bromo-1H-indol-3-yl)-2-keto-2-phenyl-ethyl]malonic acid diethyl ester Formula: C23H22BrNO5 MolecularWeight: 472.32848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CNC2=C1C=C(C=C2)Br)C(=O)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C([C@H](C1=CNC2=C1C=C(C=C2)Br)C(=O)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H22BrNO5/c1-3-29-22(27)20(23(28)30-4-2)19(21(26)14-8-6-5-7-9-14)17-13-25-18-11-10-15(24)12-16(17)18/h5-13,19-20,25H,3-4H2,1-2H3/t19-/m0/s1