methyl 5-(4-octoxyphenyl)-1,2-oxazole-3-carboxylate

Systemtic Name: methyl 5-(4-octoxyphenyl)-1,2-oxazole-3-carboxylate Openeye Name: methyl 5-(4-octoxyphenyl)isoxazole-3-carboxylate CAS Name: 5-(4-octoxyphenyl)-3-isoxazolecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-octoxyphenyl)-1,2-oxazole-3-carboxylate Traditional Name: 5-(4-octoxyphenyl)isoxazole-3-carboxylic acid methyl ester Formula: C19H25NO4 MolecularWeight: 331.4061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C(=O)OC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C(=O)OC

InChI

InChI=1S/C19H25NO4/c1-3-4-5-6-7-8-13-23-16-11-9-15(10-12-16)18-14-17(20-24-18)19(21)22-2/h9-12,14H,3-8,13H2,1-2H3