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

Systemtic Name: 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]propanedioic acid Openeye Name: 2-[[4-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]phenyl]methyl]propanedioic acid CAS Name: 2-[[4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]methyl]propanedioic acid IUPAC Name: 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]propanedioic acid Traditional Name: 2-[4-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]benzyl]malonic acid Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=C(C=C3)CC(C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=C(C=C3)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C22H21NO6/c1-14-19(23-20(29-14)16-5-3-2-4-6-16)11-12-28-17-9-7-15(8-10-17)13-18(21(24)25)22(26)27/h2-10,18H,11-13H2,1H3,(H,24,25)(H,26,27)