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

Systemtic Name: ethyl 6-azanyl-4-[3-bromanyl-5-ethoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-[4-(2-anilino-2-oxo-ethoxy)-3-bromo-5-ethoxy-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-4-[4-(2-anilino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-[4-(2-anilino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-[4-(2-anilino-2-keto-ethoxy)-3-bromo-5-ethoxy-phenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C26H26BrN3O6 MolecularWeight: 556.40514

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H26BrN3O6/c1-4-33-20-12-16(23-18(13-28)25(29)36-15(3)22(23)26(32)34-5-2)11-19(27)24(20)35-14-21(31)30-17-9-7-6-8-10-17/h6-12,23H,4-5,14,29H2,1-3H3,(H,30,31)