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

Systemtic Name: [3-(4-chlorophenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3-phenylpropanoate Openeye Name: [3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [3-(4-chlorophenyl)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C25H16ClF3O4 MolecularWeight: 472.84035

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H16ClF3O4/c26-17-9-7-16(8-10-17)22-23(31)19-12-11-18(14-20(19)33-24(22)25(27,28)29)32-21(30)13-6-15-4-2-1-3-5-15/h1-5,7-12,14H,6,13H2