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

Systemtic Name: 4-[4-[5-(3-cyano-4-phenyl-phenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]butanoic acid Openeye Name: 4-[4-[5-(3-cyano-4-phenyl-phenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]butanoic acid CAS Name: 4-[4-[5-(3-cyano-4-phenylphenyl)-1,2,4-oxadiazol-3-yl]-1-indolyl]butanoic acid IUPAC Name: 4-[4-[5-(3-cyano-4-phenylphenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]butanoic acid Traditional Name: 4-[4-[5-(3-cyano-4-phenyl-phenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]butyric acid Formula: C27H20N4O3 MolecularWeight: 448.4727

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(C=C2)C3=NC(=NO3)C4=C5C=CN(C5=CC=C4)CCCC(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2)C3=NC(=NO3)C4=C5C=CN(C5=CC=C4)CCCC(=O)O)C#N

InChI

InChI=1S/C27H20N4O3/c28-17-20-16-19(11-12-21(20)18-6-2-1-3-7-18)27-29-26(30-34-27)23-8-4-9-24-22(23)13-15-31(24)14-5-10-25(32)33/h1-4,6-9,11-13,15-16H,5,10,14H2,(H,32,33)