(3S)-3-(4-propan-2-yloxyphenyl)-3-(1,2,3,4-tetrazol-1-yl)propanoate

Systemtic Name: (3S)-3-(4-propan-2-yloxyphenyl)-3-(1,2,3,4-tetrazol-1-yl)propanoate Openeye Name: (3S)-3-(4-isopropoxyphenyl)-3-(tetrazol-1-yl)propanoate CAS Name: (3S)-3-(4-propan-2-yloxyphenyl)-3-(1-tetrazolyl)propanoate IUPAC Name: (3S)-3-(4-propan-2-yloxyphenyl)-3-(tetrazol-1-yl)propanoate Traditional Name: (3S)-3-(4-isopropoxyphenyl)-3-(tetrazol-1-yl)propionate Formula: C13H15N4O3- MolecularWeight: 275.2832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(CC(=O)[O-])N2C=NN=N2

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[C@H](CC(=O)[O-])N2C=NN=N2

InChI

InChI=1S/C13H16N4O3/c1-9(2)20-11-5-3-10(4-6-11)12(7-13(18)19)17-8-14-15-16-17/h3-6,8-9,12H,7H2,1-2H3,(H,18,19)/p-1/t12-/m0/s1