[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3-phenylpropanoate

Systemtic Name: [3-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3-phenylpropanoate Openeye Name: [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [3-(3,4-dimethoxyphenyl)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C27H21F3O6 MolecularWeight: 498.44725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)CCC4=CC=CC=C4)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)CCC4=CC=CC=C4)C(F)(F)F)OC

InChI

InChI=1S/C27H21F3O6/c1-33-20-12-9-17(14-22(20)34-2)24-25(32)19-11-10-18(15-21(19)36-26(24)27(28,29)30)35-23(31)13-8-16-6-4-3-5-7-16/h3-7,9-12,14-15H,8,13H2,1-2H3