ethyl 2-[2-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate

Systemtic Name: ethyl 2-[2-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate Openeye Name: ethyl 2-[[2-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]-1-oxo-5-isoquinolyl]oxy]acetate CAS Name: 2-[[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate Traditional Name: 2-[[2-[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]-1-keto-5-isoquinolyl]oxy]acetic acid ethyl ester Formula: C22H21FN2O5 MolecularWeight: 412.410943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H21FN2O5/c1-2-29-21(27)14-30-19-5-3-4-18-17(19)10-11-25(22(18)28)13-20(26)24-12-15-6-8-16(23)9-7-15/h3-11H,2,12-14H2,1H3,(H,24,26)