(3-fluoranyl-4-methoxy-phenyl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C18H15FN2O4 MolecularWeight: 342.321103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)F

InChI

InChI=1S/C18H15FN2O4/c1-24-16-7-2-12(10-15(16)19)11-25-18(23)13-3-5-14(6-4-13)21-17(22)8-9-20/h2-7,10H,8,11H2,1H3,(H,21,22)