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

Systemtic Name: ethyl 6-azanyl-5-cyano-4-(3-ethoxy-5-iodanyl-4-prop-2-ynoxy-phenyl)-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-4-(3-ethoxy-5-iodo-4-prop-2-ynoxy-phenyl)-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-4-(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-4-(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)-2-methyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-4-(3-ethoxy-5-iodo-4-propargyloxy-phenyl)-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C21H21IN2O5 MolecularWeight: 508.30631

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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)I)OCC#C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=C(OC(=C2C(=O)OCC)C)N)C#N)I)OCC#C

InChI

InChI=1S/C21H21IN2O5/c1-5-8-28-19-15(22)9-13(10-16(19)26-6-2)18-14(11-23)20(24)29-12(4)17(18)21(25)27-7-3/h1,9-10,18H,6-8,24H2,2-4H3