5-[[4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: 5-[[4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methylamino]-2-morpholin-4-yl-benzoate Openeye Name: 5-[[4-[(2-chloro-6-fluoro-phenyl)methoxy]-3-methoxy-phenyl]methylamino]-2-morpholino-benzoate CAS Name: 5-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-(4-morpholinyl)benzoate IUPAC Name: 5-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[[4-(2-chloro-6-fluoro-benzyl)oxy-3-methoxy-benzyl]amino]-2-morpholino-benzoate Formula: C26H25ClFN2O5- MolecularWeight: 499.938503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)[O-])OCC4=C(C=CC=C4Cl)F

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)[O-])OCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C26H26ClFN2O5/c1-33-25-13-17(5-8-24(25)35-16-20-21(27)3-2-4-22(20)28)15-29-18-6-7-23(19(14-18)26(31)32)30-9-11-34-12-10-30/h2-8,13-14,29H,9-12,15-16H2,1H3,(H,31,32)/p-1