methyl 5-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methylamino]-2-morpholin-4-yl-benzoate dihydrochloride

Systemtic Name: methyl 5-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methylamino]-2-morpholin-4-yl-benzoate dihydrochloride Openeye Name: methyl 5-[(3-bromo-4-ethoxy-5-methoxy-phenyl)methylamino]-2-morpholino-benzoate dihydrochloride CAS Name: 5-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-2-(4-morpholinyl)benzoic acid methyl ester dihydrochloride IUPAC Name: methyl 5-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate dihydrochloride Traditional Name: 5-[(3-bromo-4-ethoxy-5-methoxy-benzyl)amino]-2-morpholino-benzoic acid methyl ester dihydrochloride Formula: C22H29BrCl2N2O5 MolecularWeight: 552.28606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)OC)OC.Cl.Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)OC)OC.Cl.Cl

InChI

InChI=1S/C22H27BrN2O5.2ClH/c1-4-30-21-18(23)11-15(12-20(21)27-2)14-24-16-5-6-19(17(13-16)22(26)28-3)25-7-9-29-10-8-25;;/h5-6,11-13,24H,4,7-10,14H2,1-3H3;2*1H