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

Systemtic Name: 5-[3-[3-(2-methoxycarbonyl-3-oxidanyl-phenoxy)propyl]phenyl]-1,2-oxazole-3-carboxylic acid Openeye Name: 5-[3-[3-(3-hydroxy-2-methoxycarbonyl-phenoxy)propyl]phenyl]isoxazole-3-carboxylic acid CAS Name: 5-[3-[3-(3-hydroxy-2-methoxycarbonylphenoxy)propyl]phenyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-[3-[3-(3-hydroxy-2-methoxycarbonylphenoxy)propyl]phenyl]-1,2-oxazole-3-carboxylic acid Traditional Name: 5-[3-[3-(2-carbomethoxy-3-hydroxy-phenoxy)propyl]phenyl]isoxazole-3-carboxylic acid Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1OCCCC2=CC=CC(=C2)C3=CC(=NO3)C(=O)O)O

Isomeric SMILES

COC(=O)C1=C(C=CC=C1OCCCC2=CC=CC(=C2)C3=CC(=NO3)C(=O)O)O

InChI

InChI=1S/C21H19NO7/c1-27-21(26)19-16(23)8-3-9-17(19)28-10-4-6-13-5-2-7-14(11-13)18-12-15(20(24)25)22-29-18/h2-3,5,7-9,11-12,23H,4,6,10H2,1H3,(H,24,25)