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

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]oxy-2-oxidanylidene-ethanoic acid; 1-ethyl-2-methyl-indole Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]oxy-2-oxo-acetic acid; 1-ethyl-2-methyl-indole CAS Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]oxy]-2-oxoacetic acid; 1-ethyl-2-methylindole IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]oxy-2-oxoacetic acid; 1-ethyl-2-methylindole Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]oxy-2-keto-acetic acid; 1-ethyl-2-methyl-indole Formula: C25H29N3O6 MolecularWeight: 467.51426

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=CC=CC=C21)C.C1CN(CCN1C2=C3C(=CC=C2)OCCO3)OC(=O)C(=O)O

Isomeric SMILES

CCN1C(=CC2=CC=CC=C21)C.C1CN(CCN1C2=C3C(=CC=C2)OCCO3)OC(=O)C(=O)O

InChI

InChI=1S/C14H16N2O6.C11H13N/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;1-3-12-9(2)8-10-6-4-5-7-11(10)12/h1-3H,4-9H2,(H,17,18);4-8H,3H2,1-2H3