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

Systemtic Name: ethyl 6-azanyl-4-[4-[2-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-[4-[2-(4-bromo-2,6-dimethyl-anilino)-2-oxo-ethoxy]-3-ethoxy-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-4-[4-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-[4-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-[4-[2-(4-bromo-2,6-dimethyl-anilino)-2-keto-ethoxy]-3-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)OCC(=O)NC3=C(C=C(C=C3C)Br)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(OC(=C2C(=O)OCC)C)N)C#N)OCC(=O)NC3=C(C=C(C=C3C)Br)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)8-9-21(22)37-14-23(33)32-26-15(3)10-19(29)11-16(26)4/h8-12,25H,6-7,14,31H2,1-5H3,(H,32,33)