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

Systemtic Name: methyl 5-[(4-cyano-2-fluoranyl-phenyl)carbonylamino]-2-morpholin-4-yl-benzoate Openeye Name: methyl 5-[(4-cyano-2-fluoro-benzoyl)amino]-2-morpholino-benzoate CAS Name: 5-[[(4-cyano-2-fluorophenyl)-oxomethyl]amino]-2-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 5-[(4-cyano-2-fluorobenzoyl)amino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[(4-cyano-2-fluoro-benzoyl)amino]-2-morpholino-benzoic acid methyl ester Formula: C20H18FN3O4 MolecularWeight: 383.373023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18FN3O4/c1-27-20(26)16-11-14(3-5-18(16)24-6-8-28-9-7-24)23-19(25)15-4-2-13(12-22)10-17(15)21/h2-5,10-11H,6-9H2,1H3,(H,23,25)