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

Systemtic Name: ethyl 6-azanyl-4-(5-bromanyl-2-phenylmethoxy-phenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-(2-benzyloxy-5-bromo-phenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: 6-amino-4-(5-bromo-2-phenylmethoxyphenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-(5-bromo-2-phenylmethoxyphenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-(2-benzoxy-5-bromo-phenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C23H21BrN2O4 MolecularWeight: 469.32784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C#N)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C#N)N)C

InChI

InChI=1S/C23H21BrN2O4/c1-3-28-23(27)20-14(2)30-22(26)18(12-25)21(20)17-11-16(24)9-10-19(17)29-13-15-7-5-4-6-8-15/h4-11,21H,3,13,26H2,1-2H3