ethyl 5-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-ethoxy-phenyl]methylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: ethyl 5-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-ethoxy-phenyl]methylamino]-2-morpholin-4-yl-benzoate Openeye Name: ethyl 5-[[4-(2-amino-2-oxo-ethoxy)-3-bromo-5-ethoxy-phenyl]methylamino]-2-morpholino-benzoate CAS Name: 5-[[4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methylamino]-2-(4-morpholinyl)benzoic acid ethyl ester IUPAC Name: ethyl 5-[[4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methylamino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[[4-(2-amino-2-keto-ethoxy)-3-bromo-5-ethoxy-benzyl]amino]-2-morpholino-benzoic acid ethyl ester Formula: C24H30BrN3O6 MolecularWeight: 536.4155

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)OCC)Br)OCC(=O)N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)OCC)Br)OCC(=O)N

InChI

InChI=1S/C24H30BrN3O6/c1-3-32-21-12-16(11-19(25)23(21)34-15-22(26)29)14-27-17-5-6-20(28-7-9-31-10-8-28)18(13-17)24(30)33-4-2/h5-6,11-13,27H,3-4,7-10,14-15H2,1-2H3,(H2,26,29)