ethyl 2-azanyl-4-(5-bromanyl-2-fluoranyl-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-cyclopenta[b]oxepine-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-(5-bromanyl-2-fluoranyl-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-cyclopenta[b]oxepine-3-carboxylate Openeye Name: ethyl 2-amino-4-(5-bromo-2-fluoro-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-cyclopenta[b]oxepine-3-carboxylate CAS Name: 2-amino-4-(5-bromo-2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-cyclopenta[b]oxepin-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(5-bromo-2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-cyclopenta[b]oxepine-3-carboxylate Traditional Name: 2-amino-4-(5-bromo-2-fluoro-phenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-cyclopenta[b]oxepin-3-carboxylic acid ethyl ester Formula: C20H21BrFNO4 MolecularWeight: 438.287443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(CC(C2)(C)C)C(=O)C1C3=C(C=CC(=C3)Br)F)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(CC(C2)(C)C)C(=O)C1C3=C(C=CC(=C3)Br)F)N

InChI

InChI=1S/C20H21BrFNO4/c1-4-26-19(25)16-15(11-7-10(21)5-6-13(11)22)17(24)12-8-20(2,3)9-14(12)27-18(16)23/h5-7,15H,4,8-9,23H2,1-3H3