methyl 5-[[(2-cyano-3-fluoranyl-phenyl)amino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[(2-cyano-3-fluoranyl-phenyl)amino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[(2-cyano-3-fluoro-anilino)methyl]-2-methoxy-benzoate CAS Name: 5-[(2-cyano-3-fluoroanilino)methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[(2-cyano-3-fluoroanilino)methyl]-2-methoxybenzoate Traditional Name: 5-[(2-cyano-3-fluoro-anilino)methyl]-2-methoxy-benzoic acid methyl ester Formula: C17H15FN2O3 MolecularWeight: 314.311003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C(=CC=C2)F)C#N)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C(=CC=C2)F)C#N)C(=O)OC

InChI

InChI=1S/C17H15FN2O3/c1-22-16-7-6-11(8-12(16)17(21)23-2)10-20-15-5-3-4-14(18)13(15)9-19/h3-8,20H,10H2,1-2H3