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

Systemtic Name: methyl 5-[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methylamino]-2-morpholin-4-yl-benzoate Openeye Name: methyl 5-[(3-bromo-5-ethoxy-4-methoxy-phenyl)methylamino]-2-morpholino-benzoate CAS Name: 5-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylamino]-2-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 5-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[(3-bromo-5-ethoxy-4-methoxy-benzyl)amino]-2-morpholino-benzoic acid methyl ester Formula: C22H27BrN2O5 MolecularWeight: 479.36418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O5/c1-4-30-20-12-15(11-18(23)21(20)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