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

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(4-cyanophenoxy)propanoate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl (2S)-2-(4-cyanophenoxy)propanoate CAS Name: (2S)-2-(4-cyanophenoxy)propanoic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl (2S)-2-(4-cyanophenoxy)propanoate Traditional Name: (2S)-2-(4-cyanophenoxy)propionic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C22H19NO6 MolecularWeight: 393.38936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C(C)OC3=CC=C(C=C3)C#N)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)[C@H](C)OC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C22H19NO6/c1-3-15-8-18-16(9-21(25)29-20(18)10-19(15)24)12-27-22(26)13(2)28-17-6-4-14(11-23)5-7-17/h4-10,13,24H,3,12H2,1-2H3/t13-/m0/s1