methyl 5-[(3-bromanyl-4,5-dimethoxy-phenyl)methylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: methyl 5-[(3-bromanyl-4,5-dimethoxy-phenyl)methylamino]-2-morpholin-4-yl-benzoate Openeye Name: methyl 5-[(3-bromo-4,5-dimethoxy-phenyl)methylamino]-2-morpholino-benzoate CAS Name: 5-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-2-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 5-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[(3-bromo-4,5-dimethoxy-benzyl)amino]-2-morpholino-benzoic acid methyl ester Formula: C21H25BrN2O5 MolecularWeight: 465.3376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)OC)Br)OC

InChI

InChI=1S/C21H25BrN2O5/c1-26-19-11-14(10-17(22)20(19)27-2)13-23-15-4-5-18(16(12-15)21(25)28-3)24-6-8-29-9-7-24/h4-5,10-12,23H,6-9,13H2,1-3H3