(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(4-cyanophenoxy)propanoate

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(4-cyanophenoxy)propanoate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl (2S)-2-(4-cyanophenoxy)propanoate CAS Name: (2S)-2-(4-cyanophenoxy)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)-2-(4-cyanophenoxy)propanoate Traditional Name: (2S)-2-(4-cyanophenoxy)propionic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C21H17NO6 MolecularWeight: 379.36278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C(C)OC3=CC=C(C=C3)C#N)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)[C@H](C)OC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C21H17NO6/c1-12-18(23)8-7-17-15(9-19(24)28-20(12)17)11-26-21(25)13(2)27-16-5-3-14(10-22)4-6-16/h3-9,13,23H,11H2,1-2H3/t13-/m0/s1