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

Systemtic Name: diethyl 2-[(1R)-1-(5-bromanyl-1H-indol-3-yl)-2-oxidanylidene-2-piperidin-1-yl-ethyl]propanedioate Openeye Name: diethyl 2-[(1R)-1-(5-bromo-1H-indol-3-yl)-2-oxo-2-(1-piperidyl)ethyl]propanedioate CAS Name: 2-[(1R)-1-(5-bromo-1H-indol-3-yl)-2-oxo-2-(1-piperidinyl)ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(1R)-1-(5-bromo-1H-indol-3-yl)-2-oxo-2-piperidin-1-ylethyl]propanedioate Traditional Name: 2-[(1R)-1-(5-bromo-1H-indol-3-yl)-2-keto-2-piperidino-ethyl]malonic acid diethyl ester Formula: C22H27BrN2O5 MolecularWeight: 479.36418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CNC2=C1C=C(C=C2)Br)C(=O)N3CCCCC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C([C@H](C1=CNC2=C1C=C(C=C2)Br)C(=O)N3CCCCC3)C(=O)OCC

InChI

InChI=1S/C22H27BrN2O5/c1-3-29-21(27)19(22(28)30-4-2)18(20(26)25-10-6-5-7-11-25)16-13-24-17-9-8-14(23)12-15(16)17/h8-9,12-13,18-19,24H,3-7,10-11H2,1-2H3/t18-/m0/s1