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

Systemtic Name: 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]methyl]propanedioic acid Openeye Name: 2-[[2-(3,5-dimethylisoxazol-4-yl)-1H-indol-3-yl]methyl]propanedioic acid CAS Name: 2-[[2-(3,5-dimethyl-4-isoxazolyl)-1H-indol-3-yl]methyl]propanedioic acid IUPAC Name: 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]methyl]propanedioic acid Traditional Name: 2-[[2-(3,5-dimethylisoxazol-4-yl)-1H-indol-3-yl]methyl]malonic acid Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C2=C(C3=CC=CC=C3N2)CC(C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C)C2=C(C3=CC=CC=C3N2)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C17H16N2O5/c1-8-14(9(2)24-19-8)15-11(7-12(16(20)21)17(22)23)10-5-3-4-6-13(10)18-15/h3-6,12,18H,7H2,1-2H3,(H,20,21)(H,22,23)