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

Systemtic Name: 2-[[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1H-indol-3-yl]methyl]propanedioic acid Openeye Name: 2-[[2-(5-methyl-3-phenyl-isoxazol-4-yl)-1H-indol-3-yl]methyl]propanedioic acid CAS Name: 2-[[2-(5-methyl-3-phenyl-4-isoxazolyl)-1H-indol-3-yl]methyl]propanedioic acid IUPAC Name: 2-[[2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1H-indol-3-yl]methyl]propanedioic acid Traditional Name: 2-[[2-(5-methyl-3-phenyl-isoxazol-4-yl)-1H-indol-3-yl]methyl]malonic acid Formula: C22H18N2O5 MolecularWeight: 390.38872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C3=C(C4=CC=CC=C4N3)CC(C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C3=C(C4=CC=CC=C4N3)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C22H18N2O5/c1-12-18(19(24-29-12)13-7-3-2-4-8-13)20-15(11-16(21(25)26)22(27)28)14-9-5-6-10-17(14)23-20/h2-10,16,23H,11H2,1H3,(H,25,26)(H,27,28)