2-[4-[5-(3-cyano-4-propan-2-yloxy-phenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[4-[5-(3-cyano-4-propan-2-yloxy-phenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]ethanoic acid Openeye Name: 2-[4-[5-(3-cyano-4-isopropoxy-phenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]acetic acid CAS Name: 2-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1-indolyl]acetic acid IUPAC Name: 2-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]acetic acid Traditional Name: 2-[4-[5-(3-cyano-4-isopropoxy-phenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]acetic acid Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4C=CN(C4=CC=C3)CC(=O)O)C#N

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4C=CN(C4=CC=C3)CC(=O)O)C#N

InChI

InChI=1S/C22H18N4O4/c1-13(2)29-19-7-6-14(10-15(19)11-23)22-24-21(25-30-22)17-4-3-5-18-16(17)8-9-26(18)12-20(27)28/h3-10,13H,12H2,1-2H3,(H,27,28)