(5-ethanoyl-2-methoxy-phenyl)methyl (2S)-3-phenyl-2-(1,2,3,4-tetrazol-1-yl)propanoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl (2S)-3-phenyl-2-(1,2,3,4-tetrazol-1-yl)propanoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate CAS Name: (2S)-3-phenyl-2-(1-tetrazolyl)propanoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate Traditional Name: (2S)-3-phenyl-2-(tetrazol-1-yl)propionic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C(CC2=CC=CC=C2)N3C=NN=N3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)[C@H](CC2=CC=CC=C2)N3C=NN=N3

InChI

InChI=1S/C20H20N4O4/c1-14(25)16-8-9-19(27-2)17(11-16)12-28-20(26)18(24-13-21-22-23-24)10-15-6-4-3-5-7-15/h3-9,11,13,18H,10,12H2,1-2H3/t18-/m0/s1