4-butyl-3-pentyl-5-phenyl-1,2-oxazole

Systemtic Name: 4-butyl-3-pentyl-5-phenyl-1,2-oxazole Openeye Name: 4-butyl-3-pentyl-5-phenyl-isoxazole CAS Name: 4-butyl-3-pentyl-5-phenylisoxazole IUPAC Name: 4-butyl-3-pentyl-5-phenyl-1,2-oxazole Traditional Name: 3-amyl-4-butyl-5-phenyl-isoxazole Formula: C18H25NO MolecularWeight: 271.3972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NOC(=C1CCCC)C2=CC=CC=C2

Isomeric SMILES

CCCCCC1=NOC(=C1CCCC)C2=CC=CC=C2

InChI

InChI=1S/C18H25NO/c1-3-5-8-14-17-16(13-6-4-2)18(20-19-17)15-11-9-7-10-12-15/h7,9-12H,3-6,8,13-14H2,1-2H3