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

Systemtic Name: phenyl 3-[3-(2-azanyl-2-oxidanylidene-ethyl)-7-chloranyl-2-oxidanylidene-chromen-4-yl]-2-[2,4-bis(fluoranyl)-6-(trifluoromethyl)phenyl]propanoate Openeye Name: phenyl 3-[3-(2-amino-2-oxo-ethyl)-7-chloro-2-oxo-chromen-4-yl]-2-[2,4-difluoro-6-(trifluoromethyl)phenyl]propanoate CAS Name: 3-[3-(2-amino-2-oxoethyl)-7-chloro-2-oxo-1-benzopyran-4-yl]-2-[2,4-difluoro-6-(trifluoromethyl)phenyl]propanoic acid phenyl ester IUPAC Name: phenyl 3-[3-(2-amino-2-oxoethyl)-7-chloro-2-oxochromen-4-yl]-2-[2,4-difluoro-6-(trifluoromethyl)phenyl]propanoate Traditional Name: 3-[3-(2-amino-2-keto-ethyl)-7-chloro-2-keto-chromen-4-yl]-2-[2,4-difluoro-6-(trifluoromethyl)phenyl]propionic acid phenyl ester Formula: C27H17ClF5NO5 MolecularWeight: 565.872596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C(CC2=C(C(=O)OC3=C2C=CC(=C3)Cl)CC(=O)N)C4=C(C=C(C=C4C(F)(F)F)F)F

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C(CC2=C(C(=O)OC3=C2C=CC(=C3)Cl)CC(=O)N)C4=C(C=C(C=C4C(F)(F)F)F)F

InChI

InChI=1S/C27H17ClF5NO5/c28-13-6-7-16-17(18(12-23(34)35)25(36)39-22(16)8-13)11-19(26(37)38-15-4-2-1-3-5-15)24-20(27(31,32)33)9-14(29)10-21(24)30/h1-10,19H,11-12H2,(H2,34,35)