4-[4-[[4-(carboxymethyloxy)-3-methyl-phenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoic acid

Systemtic Name: 4-[4-[[4-(carboxymethyloxy)-3-methyl-phenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoic acid Openeye Name: 4-[4-[[4-(carboxymethyloxy)-3-methyl-phenoxy]methyl]-5-methyl-oxazol-2-yl]benzoic acid CAS Name: 4-[4-[[4-(carboxymethyloxy)-3-methylphenoxy]methyl]-5-methyl-2-oxazolyl]benzoic acid IUPAC Name: 4-[4-[[4-(carboxymethyloxy)-3-methylphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]benzoic acid Traditional Name: 4-[4-[[4-(carboxymethyloxy)-3-methyl-phenoxy]methyl]-5-methyl-oxazol-2-yl]benzoic acid Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=C(OC(=N2)C3=CC=C(C=C3)C(=O)O)C)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=C(OC(=N2)C3=CC=C(C=C3)C(=O)O)C)OCC(=O)O

InChI

InChI=1S/C21H19NO7/c1-12-9-16(7-8-18(12)28-11-19(23)24)27-10-17-13(2)29-20(22-17)14-3-5-15(6-4-14)21(25)26/h3-9H,10-11H2,1-2H3,(H,23,24)(H,25,26)