methyl 3-azanyl-4-[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]butanoate

Systemtic Name: methyl 3-azanyl-4-[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]butanoate Openeye Name: methyl 3-amino-4-[4-(2H-tetrazol-5-yl)phenyl]butanoate CAS Name: 3-amino-4-[4-(2H-tetrazol-5-yl)phenyl]butanoic acid methyl ester IUPAC Name: methyl 3-amino-4-[4-(2H-tetrazol-5-yl)phenyl]butanoate Traditional Name: 3-amino-4-[4-(2H-tetrazol-5-yl)phenyl]butyric acid methyl ester Formula: C12H15N5O2 MolecularWeight: 261.2798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC1=CC=C(C=C1)C2=NNN=N2)N

Isomeric SMILES

COC(=O)CC(CC1=CC=C(C=C1)C2=NNN=N2)N

InChI

InChI=1S/C12H15N5O2/c1-19-11(18)7-10(13)6-8-2-4-9(5-3-8)12-14-16-17-15-12/h2-5,10H,6-7,13H2,1H3,(H,14,15,16,17)