5-[3-[3-(2-methoxycarbonyl-3-oxidanyl-phenoxy)butyl]phenyl]-1,2-oxazole-3-carboxylic acid

Systemtic Name: 5-[3-[3-(2-methoxycarbonyl-3-oxidanyl-phenoxy)butyl]phenyl]-1,2-oxazole-3-carboxylic acid Openeye Name: 5-[3-[3-(3-hydroxy-2-methoxycarbonyl-phenoxy)butyl]phenyl]isoxazole-3-carboxylic acid CAS Name: 5-[3-[3-(3-hydroxy-2-methoxycarbonylphenoxy)butyl]phenyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-[3-[3-(3-hydroxy-2-methoxycarbonylphenoxy)butyl]phenyl]-1,2-oxazole-3-carboxylic acid Traditional Name: 5-[3-[3-(2-carbomethoxy-3-hydroxy-phenoxy)butyl]phenyl]isoxazole-3-carboxylic acid Formula: C22H21NO7 MolecularWeight: 411.40464

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC(=C1)C2=CC(=NO2)C(=O)O)OC3=CC=CC(=C3C(=O)OC)O

Isomeric SMILES

CC(CCC1=CC=CC(=C1)C2=CC(=NO2)C(=O)O)OC3=CC=CC(=C3C(=O)OC)O

InChI

InChI=1S/C22H21NO7/c1-13(29-18-8-4-7-17(24)20(18)22(27)28-2)9-10-14-5-3-6-15(11-14)19-12-16(21(25)26)23-30-19/h3-8,11-13,24H,9-10H2,1-2H3,(H,25,26)