ethyl 6-azanyl-4-(5-bromanyl-2-methoxy-phenyl)-5-cyano-2-propyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-4-(5-bromanyl-2-methoxy-phenyl)-5-cyano-2-propyl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-(5-bromo-2-methoxy-phenyl)-5-cyano-2-propyl-4H-pyran-3-carboxylate CAS Name: 6-amino-4-(5-bromo-2-methoxyphenyl)-5-cyano-2-propyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-(5-bromo-2-methoxyphenyl)-5-cyano-2-propyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-(5-bromo-2-methoxy-phenyl)-5-cyano-2-propyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C19H21BrN2O4 MolecularWeight: 421.28504

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C(=C(O1)N)C#N)C2=C(C=CC(=C2)Br)OC)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(C(=C(O1)N)C#N)C2=C(C=CC(=C2)Br)OC)C(=O)OCC

InChI

InChI=1S/C19H21BrN2O4/c1-4-6-15-17(19(23)25-5-2)16(13(10-21)18(22)26-15)12-9-11(20)7-8-14(12)24-3/h7-9,16H,4-6,22H2,1-3H3