(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-phenylpropanoate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-phenylpropanoate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C21H20O5 MolecularWeight: 352.3805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCC3=CC=CC=C3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCC3=CC=CC=C3)O

InChI

InChI=1S/C21H20O5/c1-2-15-10-17-16(11-21(24)26-19(17)12-18(15)22)13-25-20(23)9-8-14-6-4-3-5-7-14/h3-7,10-12,22H,2,8-9,13H2,1H3