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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-phenylpropanoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C21H20O4 MolecularWeight: 336.3811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H20O4/c1-2-15-8-10-18-17(13-21(23)25-19(18)12-15)14-24-20(22)11-9-16-6-4-3-5-7-16/h3-8,10,12-13H,2,9,11,14H2,1H3