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

Systemtic Name: 5-[3-[3-(2-methoxycarbonyl-3-oxidanyl-phenoxy)pentyl]phenyl]-1,2-oxazole-3-carboxylic acid Openeye Name: 5-[3-[3-(3-hydroxy-2-methoxycarbonyl-phenoxy)pentyl]phenyl]isoxazole-3-carboxylic acid CAS Name: 5-[3-[3-(3-hydroxy-2-methoxycarbonylphenoxy)pentyl]phenyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-[3-[3-(3-hydroxy-2-methoxycarbonylphenoxy)pentyl]phenyl]-1,2-oxazole-3-carboxylic acid Traditional Name: 5-[3-[3-(2-carbomethoxy-3-hydroxy-phenoxy)pentyl]phenyl]isoxazole-3-carboxylic acid Formula: C23H23NO7 MolecularWeight: 425.43122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO7/c1-3-16(30-19-9-5-8-18(25)21(19)23(28)29-2)11-10-14-6-4-7-15(12-14)20-13-17(22(26)27)24-31-20/h4-9,12-13,16,25H,3,10-11H2,1-2H3,(H,26,27)