ethyl 6-azanyl-4-[5-[(3-bromanylphenoxy)methyl]furan-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-4-[5-[(3-bromanylphenoxy)methyl]furan-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-[5-[(3-bromophenoxy)methyl]-2-furyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-4-[5-[(3-bromophenoxy)methyl]-2-furanyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-[5-[(3-bromophenoxy)methyl]furan-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-[5-[(3-bromophenoxy)methyl]-2-furyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(O2)COC3=CC(=CC=C3)Br)C#N)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(O2)COC3=CC(=CC=C3)Br)C#N)N)C

InChI

InChI=1S/C21H19BrN2O5/c1-3-26-21(25)18-12(2)28-20(24)16(10-23)19(18)17-8-7-15(29-17)11-27-14-6-4-5-13(22)9-14/h4-9,19H,3,11,24H2,1-2H3