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

Systemtic Name: 5-[[2,3-bis(chloranyl)phenyl]methylamino]-2-morpholin-4-yl-benzoic acid Openeye Name: 5-[(2,3-dichlorophenyl)methylamino]-2-morpholino-benzoic acid CAS Name: 5-[(2,3-dichlorophenyl)methylamino]-2-(4-morpholinyl)benzoic acid IUPAC Name: 5-[(2,3-dichlorophenyl)methylamino]-2-morpholin-4-ylbenzoic acid Traditional Name: 5-[(2,3-dichlorobenzyl)amino]-2-morpholino-benzoic acid Formula: C18H18Cl2N2O3 MolecularWeight: 381.25312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)NCC3=C(C(=CC=C3)Cl)Cl)C(=O)O

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)NCC3=C(C(=CC=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C18H18Cl2N2O3/c19-15-3-1-2-12(17(15)20)11-21-13-4-5-16(14(10-13)18(23)24)22-6-8-25-9-7-22/h1-5,10,21H,6-9,11H2,(H,23,24)