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

Systemtic Name: ethyl 5-[(5-bromanyl-2-ethoxy-phenyl)methylamino]-2-morpholin-4-yl-benzoate Openeye Name: ethyl 5-[(5-bromo-2-ethoxy-phenyl)methylamino]-2-morpholino-benzoate CAS Name: 5-[(5-bromo-2-ethoxyphenyl)methylamino]-2-(4-morpholinyl)benzoic acid ethyl ester IUPAC Name: ethyl 5-[(5-bromo-2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[(5-bromo-2-ethoxy-benzyl)amino]-2-morpholino-benzoic acid ethyl ester Formula: C22H27BrN2O4 MolecularWeight: 463.36478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O4/c1-3-28-21-8-5-17(23)13-16(21)15-24-18-6-7-20(25-9-11-27-12-10-25)19(14-18)22(26)29-4-2/h5-8,13-14,24H,3-4,9-12,15H2,1-2H3