(2S)-2-[4-(1-methyl-1,2,3,4-tetrazol-5-yl)phenoxy]butanoate

Systemtic Name: (2S)-2-[4-(1-methyl-1,2,3,4-tetrazol-5-yl)phenoxy]butanoate Openeye Name: (2S)-2-[4-(1-methyltetrazol-5-yl)phenoxy]butanoate CAS Name: (2S)-2-[4-(1-methyl-5-tetrazolyl)phenoxy]butanoate IUPAC Name: (2S)-2-[4-(1-methyltetrazol-5-yl)phenoxy]butanoate Traditional Name: (2S)-2-[4-(1-methyltetrazol-5-yl)phenoxy]butyrate Formula: C12H13N4O3- MolecularWeight: 261.25662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])OC1=CC=C(C=C1)C2=NN=NN2C

Isomeric SMILES

CC[C@@H](C(=O)[O-])OC1=CC=C(C=C1)C2=NN=NN2C

InChI

InChI=1S/C12H14N4O3/c1-3-10(12(17)18)19-9-6-4-8(5-7-9)11-13-14-15-16(11)2/h4-7,10H,3H2,1-2H3,(H,17,18)/p-1/t10-/m0/s1