ethyl 6-azanyl-4-[3-bromanyl-4-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethoxy]-5-ethoxy-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-4-[3-bromanyl-4-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethoxy]-5-ethoxy-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-[3-bromo-4-[2-(3,5-dimethylanilino)-2-oxo-ethoxy]-5-ethoxy-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-4-[3-bromo-4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-5-ethoxyphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-[3-bromo-4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-5-ethoxyphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-[3-bromo-4-[2-(3,5-dimethylanilino)-2-keto-ethoxy]-5-ethoxy-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C28H30BrN3O6 MolecularWeight: 584.4583

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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(=O)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=C(OC(=C2C(=O)OCC)C)N)C#N)Br)OCC(=O)NC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C28H30BrN3O6/c1-6-35-22-12-18(25-20(13-30)27(31)38-17(5)24(25)28(34)36-7-2)11-21(29)26(22)37-14-23(33)32-19-9-15(3)8-16(4)10-19/h8-12,25H,6-7,14,31H2,1-5H3,(H,32,33)