ethyl 6-azanyl-5-cyano-4-(3-iodanyl-5-methoxy-4-prop-2-enoxy-phenyl)-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-5-cyano-4-(3-iodanyl-5-methoxy-4-prop-2-enoxy-phenyl)-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl 4-(4-allyloxy-3-iodo-5-methoxy-phenyl)-6-amino-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-4-(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-4-(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)-2-methyl-4H-pyran-3-carboxylate Traditional Name: 4-(4-allyloxy-3-iodo-5-methoxy-phenyl)-6-amino-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C20H21IN2O5 MolecularWeight: 496.29561

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C(=C2)I)OCC=C)OC)C#N)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C(=C2)I)OCC=C)OC)C#N)N)C

InChI

InChI=1S/C20H21IN2O5/c1-5-7-27-18-14(21)8-12(9-15(18)25-4)17-13(10-22)19(23)28-11(3)16(17)20(24)26-6-2/h5,8-9,17H,1,6-7,23H2,2-4H3