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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl (2S)-3-phenyl-2-(1,2,3,4-tetrazol-1-yl)propanoate Openeye Name: (7-methoxy-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-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate Traditional Name: (2S)-3-phenyl-2-(tetrazol-1-yl)propionic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C21H18N4O5 MolecularWeight: 406.39142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(CC3=CC=CC=C3)N4C=NN=N4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)[C@H](CC3=CC=CC=C3)N4C=NN=N4

InChI

InChI=1S/C21H18N4O5/c1-28-16-7-8-17-15(10-20(26)30-19(17)11-16)12-29-21(27)18(25-13-22-23-24-25)9-14-5-3-2-4-6-14/h2-8,10-11,13,18H,9,12H2,1H3/t18-/m0/s1