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

Systemtic Name: ethyl 6-azanyl-4-[5-bromanyl-2-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-[5-bromo-2-[2-(3,5-dimethylanilino)-2-oxo-ethoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-4-[5-bromo-2-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-[5-bromo-2-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-[5-bromo-2-[2-(3,5-dimethylanilino)-2-keto-ethoxy]phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C26H26BrN3O5 MolecularWeight: 540.40574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=C(C=CC(=C2)Br)OCC(=O)NC3=CC(=CC(=C3)C)C)C#N)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=C(C=CC(=C2)Br)OCC(=O)NC3=CC(=CC(=C3)C)C)C#N)N)C

InChI

InChI=1S/C26H26BrN3O5/c1-5-33-26(32)23-16(4)35-25(29)20(12-28)24(23)19-11-17(27)6-7-21(19)34-13-22(31)30-18-9-14(2)8-15(3)10-18/h6-11,24H,5,13,29H2,1-4H3,(H,30,31)