ethyl 2-[2-[2-[[2,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate

Systemtic Name: ethyl 2-[2-[2-[[2,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate Openeye Name: ethyl 2-[[2-[2-(2,4-difluoroanilino)-2-oxo-ethyl]-1-oxo-5-isoquinolyl]oxy]acetate CAS Name: 2-[[2-[2-(2,4-difluoroanilino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(2,4-difluoroanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate Traditional Name: 2-[[2-[2-(2,4-difluoroanilino)-2-keto-ethyl]-1-keto-5-isoquinolyl]oxy]acetic acid ethyl ester Formula: C21H18F2N2O5 MolecularWeight: 416.374826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=C(C=C(C=C3)F)F

Isomeric SMILES

CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C21H18F2N2O5/c1-2-29-20(27)12-30-18-5-3-4-15-14(18)8-9-25(21(15)28)11-19(26)24-17-7-6-13(22)10-16(17)23/h3-10H,2,11-12H2,1H3,(H,24,26)