2-[3-(3-methoxyphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl]morpholine-4-carboxylic acid

Systemtic Name: 2-[3-(3-methoxyphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl]morpholine-4-carboxylic acid Openeye Name: 2-[3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]morpholine-4-carboxylic acid CAS Name: 2-[3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl]-4-morpholinecarboxylic acid IUPAC Name: 2-[3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]morpholine-4-carboxylic acid Traditional Name: 2-[4-keto-3-(3-methoxyphenoxy)-2-(trifluoromethyl)chromen-7-yl]morpholine-4-carboxylic acid Formula: C22H18F3NO7 MolecularWeight: 465.37603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)C4CN(CCO4)C(=O)O)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)C4CN(CCO4)C(=O)O)C(F)(F)F

InChI

InChI=1S/C22H18F3NO7/c1-30-13-3-2-4-14(10-13)32-19-18(27)15-6-5-12(9-16(15)33-20(19)22(23,24)25)17-11-26(21(28)29)7-8-31-17/h2-6,9-10,17H,7-8,11H2,1H3,(H,28,29)