3-[4-[5-(4-cyclohexyl-3-ethyl-phenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoic acid

Systemtic Name: 3-[4-[5-(4-cyclohexyl-3-ethyl-phenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoic acid Openeye Name: 3-[4-[5-(4-cyclohexyl-3-ethyl-phenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoic acid CAS Name: 3-[4-[5-(4-cyclohexyl-3-ethylphenyl)-1,2,4-oxadiazol-3-yl]-1-indolyl]propanoic acid IUPAC Name: 3-[4-[5-(4-cyclohexyl-3-ethylphenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoic acid Traditional Name: 3-[4-[5-(4-cyclohexyl-3-ethyl-phenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propionic acid Formula: C27H29N3O3 MolecularWeight: 443.53746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C2=NC(=NO2)C3=C4C=CN(C4=CC=C3)CCC(=O)O)C5CCCCC5

Isomeric SMILES

CCC1=C(C=CC(=C1)C2=NC(=NO2)C3=C4C=CN(C4=CC=C3)CCC(=O)O)C5CCCCC5

InChI

InChI=1S/C27H29N3O3/c1-2-18-17-20(11-12-21(18)19-7-4-3-5-8-19)27-28-26(29-33-27)23-9-6-10-24-22(23)13-15-30(24)16-14-25(31)32/h6,9-13,15,17,19H,2-5,7-8,14,16H2,1H3,(H,31,32)