2-[[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-1H-indol-3-yl]methyl]propanedioic acid

Systemtic Name: 2-[[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-1H-indol-3-yl]methyl]propanedioic acid Openeye Name: 2-[[2-(3-ethyl-5-methyl-isoxazol-4-yl)-1H-indol-3-yl]methyl]propanedioic acid CAS Name: 2-[[2-(3-ethyl-5-methyl-4-isoxazolyl)-1H-indol-3-yl]methyl]propanedioic acid IUPAC Name: 2-[[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-1H-indol-3-yl]methyl]propanedioic acid Traditional Name: 2-[[2-(3-ethyl-5-methyl-isoxazol-4-yl)-1H-indol-3-yl]methyl]malonic acid Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1C2=C(C3=CC=CC=C3N2)CC(C(=O)O)C(=O)O)C

Isomeric SMILES

CCC1=NOC(=C1C2=C(C3=CC=CC=C3N2)CC(C(=O)O)C(=O)O)C

InChI

InChI=1S/C18H18N2O5/c1-3-13-15(9(2)25-20-13)16-11(8-12(17(21)22)18(23)24)10-6-4-5-7-14(10)19-16/h4-7,12,19H,3,8H2,1-2H3,(H,21,22)(H,23,24)