5-(4-butoxyphenyl)-3-[4-(4-heptoxyphenyl)phenyl]-1,2,4-oxadiazole

Systemtic Name: 5-(4-butoxyphenyl)-3-[4-(4-heptoxyphenyl)phenyl]-1,2,4-oxadiazole Openeye Name: 5-(4-butoxyphenyl)-3-[4-(4-heptoxyphenyl)phenyl]-1,2,4-oxadiazole CAS Name: 5-(4-butoxyphenyl)-3-[4-(4-heptoxyphenyl)phenyl]-1,2,4-oxadiazole IUPAC Name: 5-(4-butoxyphenyl)-3-[4-(4-heptoxyphenyl)phenyl]-1,2,4-oxadiazole Traditional Name: 5-(4-butoxyphenyl)-3-[4-(4-heptoxyphenyl)phenyl]-1,2,4-oxadiazole Formula: C31H36N2O3 MolecularWeight: 484.62914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NOC(=N3)C4=CC=C(C=C4)OCCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NOC(=N3)C4=CC=C(C=C4)OCCCC

InChI

InChI=1S/C31H36N2O3/c1-3-5-7-8-9-23-35-28-18-14-25(15-19-28)24-10-12-26(13-11-24)30-32-31(36-33-30)27-16-20-29(21-17-27)34-22-6-4-2/h10-21H,3-9,22-23H2,1-2H3