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

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-3-phenyl-2-(1,2,3,4-tetrazol-1-yl)propanoate Openeye Name: (7-hydroxy-8-methyl-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-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-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-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C21H18N4O5 MolecularWeight: 406.39142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C(CC3=CC=CC=C3)N4C=NN=N4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)[C@H](CC3=CC=CC=C3)N4C=NN=N4)O

InChI

InChI=1S/C21H18N4O5/c1-13-18(26)8-7-16-15(10-19(27)30-20(13)16)11-29-21(28)17(25-12-22-23-24-25)9-14-5-3-2-4-6-14/h2-8,10,12,17,26H,9,11H2,1H3/t17-/m0/s1