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

Systemtic Name: ethyl 6-azanyl-4-[3-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-4-[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-[3-bromo-5-ethoxy-4-(2-fluorobenzyl)oxy-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C25H24BrFN2O5 MolecularWeight: 531.370863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(OC(=C2C(=O)OCC)C)N)C#N)Br)OCC3=CC=CC=C3F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=C(OC(=C2C(=O)OCC)C)N)C#N)Br)OCC3=CC=CC=C3F

InChI

InChI=1S/C25H24BrFN2O5/c1-4-31-20-11-16(10-18(26)23(20)33-13-15-8-6-7-9-19(15)27)22-17(12-28)24(29)34-14(3)21(22)25(30)32-5-2/h6-11,22H,4-5,13,29H2,1-3H3