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

Systemtic Name: methyl 5-[(5-bromanyl-2-ethoxy-phenyl)methylamino]-2-morpholin-4-yl-benzoate Openeye Name: methyl 5-[(5-bromo-2-ethoxy-phenyl)methylamino]-2-morpholino-benzoate CAS Name: 5-[(5-bromo-2-ethoxyphenyl)methylamino]-2-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 5-[(5-bromo-2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[(5-bromo-2-ethoxy-benzyl)amino]-2-morpholino-benzoic acid methyl ester Formula: C21H25BrN2O4 MolecularWeight: 449.3382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O4/c1-3-28-20-7-4-16(22)12-15(20)14-23-17-5-6-19(18(13-17)21(25)26-2)24-8-10-27-11-9-24/h4-7,12-13,23H,3,8-11,14H2,1-2H3