2-(4-fluoranylphenoxy)ethyl 2-(3-fluorophenyl)-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: 2-(4-fluoranylphenoxy)ethyl 2-(3-fluorophenyl)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: 2-(4-fluorophenoxy)ethyl 2-(3-fluorophenyl)-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-(3-fluorophenyl)-1-oxo-4-isoquinolinecarboxylic acid 2-(4-fluorophenoxy)ethyl ester IUPAC Name: 2-(4-fluorophenoxy)ethyl 2-(3-fluorophenyl)-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-(3-fluorophenyl)-1-keto-isoquinoline-4-carboxylic acid 2-(4-fluorophenoxy)ethyl ester Formula: C24H17F2NO4 MolecularWeight: 421.392886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN(C2=O)C3=CC(=CC=C3)F)C(=O)OCCOC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN(C2=O)C3=CC(=CC=C3)F)C(=O)OCCOC4=CC=C(C=C4)F

InChI

InChI=1S/C24H17F2NO4/c25-16-8-10-19(11-9-16)30-12-13-31-24(29)22-15-27(18-5-3-4-17(26)14-18)23(28)21-7-2-1-6-20(21)22/h1-11,14-15H,12-13H2