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

Systemtic Name: 2-[[5-fluoranyl-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1H-indol-3-yl]methyl]propanedioic acid Openeye Name: 2-[[5-fluoro-2-(5-methyl-3-phenyl-isoxazol-4-yl)-1H-indol-3-yl]methyl]propanedioic acid CAS Name: 2-[[5-fluoro-2-(5-methyl-3-phenyl-4-isoxazolyl)-1H-indol-3-yl]methyl]propanedioic acid IUPAC Name: 2-[[5-fluoro-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1H-indol-3-yl]methyl]propanedioic acid Traditional Name: 2-[[5-fluoro-2-(5-methyl-3-phenyl-isoxazol-4-yl)-1H-indol-3-yl]methyl]malonic acid Formula: C22H17FN2O5 MolecularWeight: 408.379183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C3=C(C4=C(N3)C=CC(=C4)F)CC(C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C3=C(C4=C(N3)C=CC(=C4)F)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C22H17FN2O5/c1-11-18(19(25-30-11)12-5-3-2-4-6-12)20-15(10-16(21(26)27)22(28)29)14-9-13(23)7-8-17(14)24-20/h2-9,16,24H,10H2,1H3,(H,26,27)(H,28,29)