ethyl 2-azanyl-4-(5-bromanyl-2-ethoxy-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-(5-bromanyl-2-ethoxy-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate Openeye Name: ethyl 2-amino-4-(5-bromo-2-ethoxy-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate CAS Name: 2-amino-4-(5-bromo-2-ethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(5-bromo-2-ethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate Traditional Name: 2-amino-4-(5-bromo-2-ethoxy-phenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carboxylic acid ethyl ester Formula: C22H26BrNO5 MolecularWeight: 464.34954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C2C3=C(CC(CC3=O)(C)C)OC(=C2C(=O)OCC)N

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C2C3=C(CC(CC3=O)(C)C)OC(=C2C(=O)OCC)N

InChI

InChI=1S/C22H26BrNO5/c1-5-27-15-8-7-12(23)9-13(15)17-18-14(25)10-22(3,4)11-16(18)29-20(24)19(17)21(26)28-6-2/h7-9,17H,5-6,10-11,24H2,1-4H3