[3-(3,5-dimethylphenoxy)-4-oxidanylidene-chromen-7-yl] 3-phenylpropanoate

Systemtic Name: [3-(3,5-dimethylphenoxy)-4-oxidanylidene-chromen-7-yl] 3-phenylpropanoate Openeye Name: [3-(3,5-dimethylphenoxy)-4-oxo-chromen-7-yl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [3-(3,5-dimethylphenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [3-(3,5-dimethylphenoxy)-4-keto-chromen-7-yl] ester Formula: C26H22O5 MolecularWeight: 414.44988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)CCC4=CC=CC=C4)C

InChI

InChI=1S/C26H22O5/c1-17-12-18(2)14-21(13-17)30-24-16-29-23-15-20(9-10-22(23)26(24)28)31-25(27)11-8-19-6-4-3-5-7-19/h3-7,9-10,12-16H,8,11H2,1-2H3