5-bromanyl-1-ethyl-indole; 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]oxy-2-oxidanylidene-ethanoic acid

Systemtic Name: 5-bromanyl-1-ethyl-indole; 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]oxy-2-oxidanylidene-ethanoic acid Openeye Name: 5-bromo-1-ethyl-indole; 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]oxy-2-oxo-acetic acid CAS Name: 5-bromo-1-ethylindole; 2-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]oxy]-2-oxoacetic acid IUPAC Name: 5-bromo-1-ethylindole; 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]oxy-2-oxoacetic acid Traditional Name: 5-bromo-1-ethyl-indole; 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]oxy-2-keto-acetic acid Formula: C24H26BrN3O6 MolecularWeight: 532.38374

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC2=C1C=CC(=C2)Br.C1CN(CCN1C2=C3C(=CC=C2)OCCO3)OC(=O)C(=O)O

Isomeric SMILES

CCN1C=CC2=C1C=CC(=C2)Br.C1CN(CCN1C2=C3C(=CC=C2)OCCO3)OC(=O)C(=O)O

InChI

InChI=1S/C14H16N2O6.C10H10BrN/c17-13(18)14(19)22-16-6-4-15(5-7-16)10-2-1-3-11-12(10)21-9-8-20-11;1-2-12-6-5-8-7-9(11)3-4-10(8)12/h1-3H,4-9H2,(H,17,18);3-7H,2H2,1H3