ethyl 3-[(4-cyano-2-fluoranyl-phenyl)carbonylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: ethyl 3-[(4-cyano-2-fluoranyl-phenyl)carbonylamino]-4-morpholin-4-yl-benzoate Openeye Name: ethyl 3-[(4-cyano-2-fluoro-benzoyl)amino]-4-morpholino-benzoate CAS Name: 3-[[(4-cyano-2-fluorophenyl)-oxomethyl]amino]-4-(4-morpholinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-cyano-2-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[(4-cyano-2-fluoro-benzoyl)amino]-4-morpholino-benzoic acid ethyl ester Formula: C21H20FN3O4 MolecularWeight: 397.399603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=C(C=C(C=C3)C#N)F

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C21H20FN3O4/c1-2-29-21(27)15-4-6-19(25-7-9-28-10-8-25)18(12-15)24-20(26)16-5-3-14(13-23)11-17(16)22/h3-6,11-12H,2,7-10H2,1H3,(H,24,26)