methyl 6-azanyl-4-[5-bromanyl-2-[(3-fluorophenyl)methoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: methyl 6-azanyl-4-[5-bromanyl-2-[(3-fluorophenyl)methoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: methyl 6-amino-4-[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-4-[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl 6-amino-4-[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-[5-bromo-2-(3-fluorobenzyl)oxy-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid methyl ester Formula: C22H18BrFN2O4 MolecularWeight: 473.291723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(O1)N)C#N)C2=C(C=CC(=C2)Br)OCC3=CC(=CC=C3)F)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(O1)N)C#N)C2=C(C=CC(=C2)Br)OCC3=CC(=CC=C3)F)C(=O)OC

InChI

InChI=1S/C22H18BrFN2O4/c1-12-19(22(27)28-2)20(17(10-25)21(26)30-12)16-9-14(23)6-7-18(16)29-11-13-4-3-5-15(24)8-13/h3-9,20H,11,26H2,1-2H3