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

Systemtic Name: 1-butyl-2-ethyl-indole; 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]oxy-2-oxidanylidene-ethanoic acid Openeye Name: 1-butyl-2-ethyl-indole; 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]oxy-2-oxo-acetic acid CAS Name: 1-butyl-2-ethylindole; 2-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]oxy]-2-oxoacetic acid IUPAC Name: 1-butyl-2-ethylindole; 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]oxy-2-oxoacetic acid Traditional Name: 1-butyl-2-ethyl-indole; 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]oxy-2-keto-acetic acid Formula: C28H35N3O6 MolecularWeight: 509.594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C=C1CC.C1CN(CCN1C2=C3C(=CC=C2)OCCO3)OC(=O)C(=O)O

Isomeric SMILES

CCCCN1C2=CC=CC=C2C=C1CC.C1CN(CCN1C2=C3C(=CC=C2)OCCO3)OC(=O)C(=O)O

InChI

InChI=1S/C14H16N2O6.C14H19N/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;1-3-5-10-15-13(4-2)11-12-8-6-7-9-14(12)15/h1-3H,4-9H2,(H,17,18);6-9,11H,3-5,10H2,1-2H3