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

Systemtic Name: 3-[4-[5-(3-ethyl-4-piperidin-1-yl-phenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoic acid Openeye Name: 3-[4-[5-[3-ethyl-4-(1-piperidyl)phenyl]-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoic acid CAS Name: 3-[4-[5-[3-ethyl-4-(1-piperidinyl)phenyl]-1,2,4-oxadiazol-3-yl]-1-indolyl]propanoic acid IUPAC Name: 3-[4-[5-(3-ethyl-4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoic acid Traditional Name: 3-[4-[5-(3-ethyl-4-piperidino-phenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propionic acid Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C2=NC(=NO2)C3=C4C=CN(C4=CC=C3)CCC(=O)O)N5CCCCC5

Isomeric SMILES

CCC1=C(C=CC(=C1)C2=NC(=NO2)C3=C4C=CN(C4=CC=C3)CCC(=O)O)N5CCCCC5

InChI

InChI=1S/C26H28N4O3/c1-2-18-17-19(9-10-22(18)29-13-4-3-5-14-29)26-27-25(28-33-26)21-7-6-8-23-20(21)11-15-30(23)16-12-24(31)32/h6-11,15,17H,2-5,12-14,16H2,1H3,(H,31,32)