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

Systemtic Name: ethyl 6-azanyl-4-(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-(3-bromo-5-ethoxy-4-prop-2-ynoxy-phenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-4-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-(3-bromo-5-ethoxy-4-propargyloxy-phenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C21H21BrN2O5 MolecularWeight: 461.30584

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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)OCC#C

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O5/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