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

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]oxy-2-oxidanylidene-ethanoic acid; 2-ethyl-1-prop-2-ynyl-indole Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]oxy-2-oxo-acetic acid; 2-ethyl-1-prop-2-ynyl-indole CAS Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]oxy]-2-oxoacetic acid; 2-ethyl-1-prop-2-ynylindole IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]oxy-2-oxoacetic acid; 2-ethyl-1-prop-2-ynylindole Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]oxy-2-keto-acetic acid; 2-ethyl-1-propargyl-indole Formula: C27H29N3O6 MolecularWeight: 491.53566

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC=CC=C2N1CC#C.C1CN(CCN1C2=C3C(=CC=C2)OCCO3)OC(=O)C(=O)O

Isomeric SMILES

CCC1=CC2=CC=CC=C2N1CC#C.C1CN(CCN1C2=C3C(=CC=C2)OCCO3)OC(=O)C(=O)O

InChI

InChI=1S/C14H16N2O6.C13H13N/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;1-3-9-14-12(4-2)10-11-7-5-6-8-13(11)14/h1-3H,4-9H2,(H,17,18);1,5-8,10H,4,9H2,2H3