2-(5-bromanyl-1H-indol-3-yl)-2-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-(5-bromanyl-1H-indol-3-yl)-2-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-[2-(dimethylamino)-2-oxo-ethyl]piperazin-1-yl]acetic acid CAS Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-[2-(dimethylamino)-2-oxoethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]acetic acid Traditional Name: 2-(5-bromo-1H-indol-3-yl)-2-[4-[2-(dimethylamino)-2-keto-ethyl]piperazino]acetic acid Formula: C18H23BrN4O3 MolecularWeight: 423.30422

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1CCN(CC1)C(C2=CNC3=C2C=C(C=C3)Br)C(=O)O

Isomeric SMILES

CN(C)C(=O)CN1CCN(CC1)C(C2=CNC3=C2C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C18H23BrN4O3/c1-21(2)16(24)11-22-5-7-23(8-6-22)17(18(25)26)14-10-20-15-4-3-12(19)9-13(14)15/h3-4,9-10,17,20H,5-8,11H2,1-2H3,(H,25,26)