[4-(4-fluoranyl-3-methanoyl-phenyl)-1-methoxy-isoquinolin-5-yl] benzoate

Systemtic Name: [4-(4-fluoranyl-3-methanoyl-phenyl)-1-methoxy-isoquinolin-5-yl] benzoate Openeye Name: [4-(4-fluoro-3-formyl-phenyl)-1-methoxy-5-isoquinolyl] benzoate CAS Name: benzoic acid [4-(4-fluoro-3-formylphenyl)-1-methoxy-5-isoquinolinyl] ester IUPAC Name: [4-(4-fluoro-3-formylphenyl)-1-methoxyisoquinolin-5-yl] benzoate Traditional Name: benzoic acid [4-(4-fluoro-3-formyl-phenyl)-1-methoxy-5-isoquinolyl] ester Formula: C24H16FNO4 MolecularWeight: 401.386543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C2=C1C=CC=C2OC(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)F)C=O

Isomeric SMILES

COC1=NC=C(C2=C1C=CC=C2OC(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)F)C=O

InChI

InChI=1S/C24H16FNO4/c1-29-23-18-8-5-9-21(30-24(28)15-6-3-2-4-7-15)22(18)19(13-26-23)16-10-11-20(25)17(12-16)14-27/h2-14H,1H3