phenyl 3-[3-(2-azanyl-2-oxidanylidene-ethyl)-7-methyl-2-oxidanylidene-chromen-4-yl]-2-[2-chloranyl-4-fluoranyl-6-(trifluoromethyl)phenyl]propanoate

Systemtic Name: phenyl 3-[3-(2-azanyl-2-oxidanylidene-ethyl)-7-methyl-2-oxidanylidene-chromen-4-yl]-2-[2-chloranyl-4-fluoranyl-6-(trifluoromethyl)phenyl]propanoate Openeye Name: phenyl 3-[3-(2-amino-2-oxo-ethyl)-7-methyl-2-oxo-chromen-4-yl]-2-[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]propanoate CAS Name: 3-[3-(2-amino-2-oxoethyl)-7-methyl-2-oxo-1-benzopyran-4-yl]-2-[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]propanoic acid phenyl ester IUPAC Name: phenyl 3-[3-(2-amino-2-oxoethyl)-7-methyl-2-oxochromen-4-yl]-2-[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]propanoate Traditional Name: 3-[3-(2-amino-2-keto-ethyl)-2-keto-7-methyl-chromen-4-yl]-2-[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]propionic acid phenyl ester Formula: C28H20ClF4NO5 MolecularWeight: 561.908713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(C(=O)O2)CC(=O)N)CC(C3=C(C=C(C=C3C(F)(F)F)F)Cl)C(=O)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(C(=O)O2)CC(=O)N)CC(C3=C(C=C(C=C3C(F)(F)F)F)Cl)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C28H20ClF4NO5/c1-14-7-8-17-18(19(13-24(34)35)26(36)39-23(17)9-14)12-20(27(37)38-16-5-3-2-4-6-16)25-21(28(31,32)33)10-15(30)11-22(25)29/h2-11,20H,12-13H2,1H3,(H2,34,35)