methyl 5-[(5-bromanyl-2-methoxy-phenyl)methylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: methyl 5-[(5-bromanyl-2-methoxy-phenyl)methylamino]-2-morpholin-4-yl-benzoate Openeye Name: methyl 5-[(5-bromo-2-methoxy-phenyl)methylamino]-2-morpholino-benzoate CAS Name: 5-[(5-bromo-2-methoxyphenyl)methylamino]-2-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 5-[(5-bromo-2-methoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[(5-bromo-2-methoxy-benzyl)amino]-2-morpholino-benzoic acid methyl ester Formula: C20H23BrN2O4 MolecularWeight: 435.31162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O4/c1-25-19-6-3-15(21)11-14(19)13-22-16-4-5-18(17(12-16)20(24)26-2)23-7-9-27-10-8-23/h3-6,11-12,22H,7-10,13H2,1-2H3