1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-(4-chloranyl-3-methyl-phenoxy)butanoate

Systemtic Name: 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-(4-chloranyl-3-methyl-phenoxy)butanoate Openeye Name: 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-(4-chloro-3-methyl-phenoxy)butanoate CAS Name: 4-(4-chloro-3-methylphenoxy)butanoic acid 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl ester IUPAC Name: 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-(4-chloro-3-methylphenoxy)butanoate Traditional Name: 4-(4-chloro-3-methyl-phenoxy)butyric acid 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)OC(C)C2=NN=C(O2)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)OC(C)C2=NN=C(O2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H21ClN2O4/c1-14-13-17(10-11-18(14)22)26-12-6-9-19(25)27-15(2)20-23-24-21(28-20)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15H,6,9,12H2,1-2H3