3-(4-heptylphenyl)-5-(4-octoxyphenyl)-1,2-oxazole

Systemtic Name: 3-(4-heptylphenyl)-5-(4-octoxyphenyl)-1,2-oxazole Openeye Name: 3-(4-heptylphenyl)-5-(4-octoxyphenyl)isoxazole CAS Name: 3-(4-heptylphenyl)-5-(4-octoxyphenyl)isoxazole IUPAC Name: 3-(4-heptylphenyl)-5-(4-octoxyphenyl)-1,2-oxazole Traditional Name: 3-(4-heptylphenyl)-5-(4-octoxyphenyl)isoxazole Formula: C30H41NO2 MolecularWeight: 447.65204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)CCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)CCCCCCC

InChI

InChI=1S/C30H41NO2/c1-3-5-7-9-11-13-23-32-28-21-19-27(20-22-28)30-24-29(31-33-30)26-17-15-25(16-18-26)14-12-10-8-6-4-2/h15-22,24H,3-14,23H2,1-2H3