propyl 5-[(4-cyano-2-fluoranyl-phenyl)carbonylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: propyl 5-[(4-cyano-2-fluoranyl-phenyl)carbonylamino]-2-morpholin-4-yl-benzoate Openeye Name: propyl 5-[(4-cyano-2-fluoro-benzoyl)amino]-2-morpholino-benzoate CAS Name: 5-[[(4-cyano-2-fluorophenyl)-oxomethyl]amino]-2-(4-morpholinyl)benzoic acid propyl ester IUPAC Name: propyl 5-[(4-cyano-2-fluorobenzoyl)amino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[(4-cyano-2-fluoro-benzoyl)amino]-2-morpholino-benzoic acid propyl ester Formula: C22H22FN3O4 MolecularWeight: 411.426183

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(C=C(C=C2)C#N)F)N3CCOCC3

Isomeric SMILES

CCCOC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(C=C(C=C2)C#N)F)N3CCOCC3

InChI

InChI=1S/C22H22FN3O4/c1-2-9-30-22(28)18-13-16(4-6-20(18)26-7-10-29-11-8-26)25-21(27)17-5-3-15(14-24)12-19(17)23/h3-6,12-13H,2,7-11H2,1H3,(H,25,27)