(2-methyl-4-oxidanylidene-3-phenyl-chromen-7-yl) (2S)-2-(4-cyanophenoxy)propanoate

Systemtic Name: (2-methyl-4-oxidanylidene-3-phenyl-chromen-7-yl) (2S)-2-(4-cyanophenoxy)propanoate Openeye Name: (2-methyl-4-oxo-3-phenyl-chromen-7-yl) (2S)-2-(4-cyanophenoxy)propanoate CAS Name: (2S)-2-(4-cyanophenoxy)propanoic acid (2-methyl-4-oxo-3-phenyl-1-benzopyran-7-yl) ester IUPAC Name: (2-methyl-4-oxo-3-phenylchromen-7-yl) (2S)-2-(4-cyanophenoxy)propanoate Traditional Name: (2S)-2-(4-cyanophenoxy)propionic acid (4-keto-2-methyl-3-phenyl-chromen-7-yl) ester Formula: C26H19NO5 MolecularWeight: 425.43276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(C)OC3=CC=C(C=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)[C@H](C)OC3=CC=C(C=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C26H19NO5/c1-16-24(19-6-4-3-5-7-19)25(28)22-13-12-21(14-23(22)31-16)32-26(29)17(2)30-20-10-8-18(15-27)9-11-20/h3-14,17H,1-2H3/t17-/m0/s1