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

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(4-cyanophenoxy)propanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl (2S)-2-(4-cyanophenoxy)propanoate CAS Name: (2S)-2-(4-cyanophenoxy)propanoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl (2S)-2-(4-cyanophenoxy)propanoate Traditional Name: (2S)-2-(4-cyanophenoxy)propionic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C22H19NO5 MolecularWeight: 377.38996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C(C)OC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)[C@H](C)OC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C22H19NO5/c1-13-4-9-19-17(10-20(24)28-21(19)14(13)2)12-26-22(25)15(3)27-18-7-5-16(11-23)6-8-18/h4-10,15H,12H2,1-3H3/t15-/m0/s1