[4-(1,2,3,4-tetrazol-1-yl)phenyl] 4-(3-methylphenoxy)butanoate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 4-(3-methylphenoxy)butanoate Openeye Name: [4-(tetrazol-1-yl)phenyl] 4-(3-methylphenoxy)butanoate CAS Name: 4-(3-methylphenoxy)butanoic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 4-(3-methylphenoxy)butanoate Traditional Name: 4-(3-methylphenoxy)butyric acid [4-(tetrazol-1-yl)phenyl] ester Formula: C18H18N4O3 MolecularWeight: 338.36052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)OC2=CC=C(C=C2)N3C=NN=N3

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)OC2=CC=C(C=C2)N3C=NN=N3

InChI

InChI=1S/C18H18N4O3/c1-14-4-2-5-17(12-14)24-11-3-6-18(23)25-16-9-7-15(8-10-16)22-13-19-20-21-22/h2,4-5,7-10,12-13H,3,6,11H2,1H3