(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-3-phenyl-2-(1,2,3,4-tetrazol-1-yl)propanoate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-3-phenyl-2-(1,2,3,4-tetrazol-1-yl)propanoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate CAS Name: (2S)-3-phenyl-2-(1-tetrazolyl)propanoic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate Traditional Name: (2S)-3-phenyl-2-(tetrazol-1-yl)propionic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C22H20N4O4 MolecularWeight: 404.4186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(CC3=CC=CC=C3)N4C=NN=N4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)[C@H](CC3=CC=CC=C3)N4C=NN=N4

InChI

InChI=1S/C22H20N4O4/c1-2-15-8-9-18-17(12-21(27)30-20(18)11-15)13-29-22(28)19(26-14-23-24-25-26)10-16-6-4-3-5-7-16/h3-9,11-12,14,19H,2,10,13H2,1H3/t19-/m0/s1