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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)[O-])OCC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)[O-])OCC4=C(C=C(C=C4)F)Cl

InChI

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