5-[[3,5-bis(chloranyl)-2-ethoxy-phenyl]methylamino]-2-morpholin-4-yl-benzoic acid

Systemtic Name: 5-[[3,5-bis(chloranyl)-2-ethoxy-phenyl]methylamino]-2-morpholin-4-yl-benzoic acid Openeye Name: 5-[(3,5-dichloro-2-ethoxy-phenyl)methylamino]-2-morpholino-benzoic acid CAS Name: 5-[(3,5-dichloro-2-ethoxyphenyl)methylamino]-2-(4-morpholinyl)benzoic acid IUPAC Name: 5-[(3,5-dichloro-2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoic acid Traditional Name: 5-[(3,5-dichloro-2-ethoxy-benzyl)amino]-2-morpholino-benzoic acid Formula: C20H22Cl2N2O4 MolecularWeight: 425.30568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)O)Cl)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)O)Cl)Cl

InChI

InChI=1S/C20H22Cl2N2O4/c1-2-28-19-13(9-14(21)10-17(19)22)12-23-15-3-4-18(16(11-15)20(25)26)24-5-7-27-8-6-24/h3-4,9-11,23H,2,5-8,12H2,1H3,(H,25,26)