3-[4-[5-(3-bromanyl-4-propan-2-yloxy-phenyl)-1,2,4-oxadiazol-3-yl]-3-methyl-phenyl]propanoic acid

Systemtic Name: 3-[4-[5-(3-bromanyl-4-propan-2-yloxy-phenyl)-1,2,4-oxadiazol-3-yl]-3-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[5-(3-bromo-4-isopropoxy-phenyl)-1,2,4-oxadiazol-3-yl]-3-methyl-phenyl]propanoic acid CAS Name: 3-[4-[5-(3-bromo-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]propanoic acid IUPAC Name: 3-[4-[5-(3-bromo-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]propanoic acid Traditional Name: 3-[4-[5-(3-bromo-4-isopropoxy-phenyl)-1,2,4-oxadiazol-3-yl]-3-methyl-phenyl]propionic acid Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CCC(=O)O)C2=NOC(=N2)C3=CC(=C(C=C3)OC(C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)CCC(=O)O)C2=NOC(=N2)C3=CC(=C(C=C3)OC(C)C)Br

InChI

InChI=1S/C21H21BrN2O4/c1-12(2)27-18-8-6-15(11-17(18)22)21-23-20(24-28-21)16-7-4-14(10-13(16)3)5-9-19(25)26/h4,6-8,10-12H,5,9H2,1-3H3,(H,25,26)