4-oxidanylidene-3-(4-propoxycarbonylphenoxy)-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 4-oxidanylidene-3-(4-propoxycarbonylphenoxy)-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Openeye Name: 4-oxo-3-(4-propoxycarbonylphenoxy)-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate CAS Name: 4-oxo-3-[4-[oxo(propoxy)methyl]phenoxy]-8-(1-pyrrolidin-1-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 4-oxo-3-(4-propoxycarbonylphenoxy)-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Traditional Name: 4-keto-3-(4-propoxycarbonylphenoxy)-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Formula: C25H24F3NO6 MolecularWeight: 491.45637

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCC4)[O-])C(F)(F)F

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCC4)[O-])C(F)(F)F

InChI

InChI=1S/C25H24F3NO6/c1-2-13-33-24(32)15-5-7-16(8-6-15)34-22-20(31)17-9-10-19(30)18(14-29-11-3-4-12-29)21(17)35-23(22)25(26,27)28/h5-10,30H,2-4,11-14H2,1H3