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

Systemtic Name: ethyl 2-[2-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxypropanoate Openeye Name: ethyl 2-[[2-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]-1-oxo-5-isoquinolyl]oxy]propanoate CAS Name: 2-[[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate Traditional Name: 2-[[2-[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]-1-keto-5-isoquinolyl]oxy]propionic acid ethyl ester Formula: C23H23FN2O5 MolecularWeight: 426.437523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C23H23FN2O5/c1-3-30-23(29)15(2)31-20-6-4-5-19-18(20)11-12-26(22(19)28)14-21(27)25-13-16-7-9-17(24)10-8-16/h4-12,15H,3,13-14H2,1-2H3,(H,25,27)