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

Systemtic Name: methyl 2-[2-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H19FN2O5 MolecularWeight: 398.384363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19FN2O5/c1-28-20(26)13-29-18-4-2-3-17-16(18)9-10-24(21(17)27)12-19(25)23-11-14-5-7-15(22)8-6-14/h2-10H,11-13H2,1H3,(H,23,25)