3-[3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)-1,2,4-oxadiazol-5-yl]propanoic acid

Systemtic Name: 3-[3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)-1,2,4-oxadiazol-5-yl]propanoic acid Openeye Name: 3-[3-(3-chloro-4-ethoxy-5-methoxy-phenyl)-1,2,4-oxadiazol-5-yl]propanoic acid CAS Name: 3-[3-(3-chloro-4-ethoxy-5-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid IUPAC Name: 3-[3-(3-chloro-4-ethoxy-5-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid Traditional Name: 3-[3-(3-chloro-4-ethoxy-5-methoxy-phenyl)-1,2,4-oxadiazol-5-yl]propionic acid Formula: C14H15ClN2O5 MolecularWeight: 326.7323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C2=NOC(=N2)CCC(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C2=NOC(=N2)CCC(=O)O)OC

InChI

InChI=1S/C14H15ClN2O5/c1-3-21-13-9(15)6-8(7-10(13)20-2)14-16-11(22-17-14)4-5-12(18)19/h6-7H,3-5H2,1-2H3,(H,18,19)